881681-00-1,MFCD27987913
Catalog No.:AA00GU8Q

881681-00-1 | Tak-438

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1mg
98%
in stock  
$6.00   $4.00
- +
250mg
97%
in stock  
$91.00   $64.00
- +
1g
97%
in stock  
$202.00   $142.00
- +
5g
97%
in stock  
$758.00   $530.00
- +
10g
97%
in stock  
$1,456.00   $1,019.00
- +
25g
97%
in stock  
$2,680.00 $1,876.00
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA00GU8Q
Chemical Name:
Tak-438
CAS Number:
881681-00-1
Molecular Formula:
C17H16FN3O2S
Molecular Weight:
345.3912
MDL Number:
MFCD27987913
SMILES:
CNCc1cc(n(c1)S(=O)(=O)c1cccnc1)c1ccccc1F
Properties
Computed Properties
 
Complexity:
511  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
24  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0  
Rotatable Bond Count:
5  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
XLogP3:
2  

Downstream Synthesis Route
1-5-(2-fluorophenyl)-1-(pyridin-3-ylsulfonyl)-1H-pyrrol-3-yl-N-methylmethanamine 
  110-17-8   
1-5-(2-fluorophenyl)-1-(pyridin-3-ylsulfonyl)-1H-pyrrol-3-yl-N-methylmethanaminemonofumarate 

[1]CurrentPatentAssignee:NANJINGGRITPHARMA-CN105085484,2017,BLocationinpatent:Paragraph0066;0079-0081;0094;0105

[2]CurrentPatentAssignee:LUNANPHARMACEUTICALGROUPCORP-CN114149412,2022,ALocationinpatent:Paragraph0017;0050;0053;0055;0058-0059;0062-0063;...

[3]CurrentPatentAssignee:ZHEJIANGCHIRALMEDICINECHEMICALS-CN113861166,2021,ALocationinpatent:Paragraph0071-0078

[4]CurrentPatentAssignee:NANJINGHEALTHNICEMEDICALTECHNOLOGY-CN105315258,2016,ALocationinpatent:Paragraph0012;0013;0014

[5]CurrentPatentAssignee:BEIJINGAOHEDRUGINST;JILINSIHUANPHARMA;BEIJINGSIHUANPHARM-CN110590746,2019,ALocationinpatent:Paragraph0088-0103

[6]CurrentPatentAssignee:BEIJINGAOHEDRUGINST;JILINSIHUANPHARMA;BEIJINGSIHUANPHARM-CN110590746,2019,ALocationinpatent:Paragraph0082;0085-0087

[7]CurrentPatentAssignee:TAKEDAPHARMACEUTICALCOMPANYLIMITED-EP2336107,2015,B1Locationinpatent:Paragraph0595

[8]CurrentPatentAssignee:SHANDONGKANGMEILEPHARMACEUTICALTECHNOLOGYCOLTD-CN104860923,2018,BLocationinpatent:Paragraph0028;0038-0040

[9]CurrentPatentAssignee:TAKEDAPHARMACEUTICALCOMPANYLIMITED-US2007/60623,2007,A1Locationinpatent:Page/Pagecolumn54

[10]CurrentPatentAssignee:TAKEDAPHARMACEUTICALCOMPANYLIMITED-WO2006/36024,2006,A1Locationinpatent:Page/Pagecolumn338-339;387

[11]Locationinpatent:experimentalpartArikawa,Yasuyoshi;Nishida,Haruyuki;Kurasawa,Osamu;Hasuoka,Atsushi;Hirase,Keizo;Inatomi,Nobuhiro;Hori,Yasunobu;Matsukawa,Jun;Imanishi,Akio;Kondo,Mitsuyo;Tarui,Naoki;Hamada,Teruki;Takagi,Terufumi;Takeuchi,Toshiyuki;Kajino,Masahiro[JournalofMedicinalChemistry,2012,vol.55,#9,p.4446-4456]

[12]CurrentPatentAssignee:SHOUGUANGFUKANGPHARMACEUTICAL-CN105646453,2016,ALocationinpatent:Paragraph0017;0022;0023

[13]CurrentPatentAssignee:SHANDONGJINCHENGPHARMACEUTICAL&CHEMICALCO.,LTD.-CN106366071,2017,ALocationinpatent:Paragraph0023;0070;0071;0072

[14]Yu,Qian-Ying;Zeng,Huang;Yao,Kai;Li,Jian-Qi;Liu,Yu[SyntheticCommunications,2017,vol.47,#12,p.1169-1174]

[15]CurrentPatentAssignee:GUANGDONGSCIENTIFICFINDERPHARMACEUTICALTECH-CN107011325,2017,ALocationinpatent:Paragraph0020;0021;0022;0023

[16]CurrentPatentAssignee:HAISCOPHARMACEUTICALGROUPCO.,LTD.-CN107759568,2018,ALocationinpatent:Paragraph0557;0558

[17]CurrentPatentAssignee:BEIJINGMANGEPHARMACEUTICALST;SHANGHAIZHONGTUOPHARMACEUTICALTECH-CN108503621,2018,ALocationinpatent:Paragraph0030;0049;0050;0053;0054;0057;0058

[18]CurrentPatentAssignee:LUNANPHARMACEUTICALGROUPCOLTD-CN113549054,2021,ALocationinpatent:Paragraph0039;0084;0086-0087;0089-0090;0092

[19]CurrentPatentAssignee:BEIJINGFUYUANMEDICINE-CN113861167,2021,ALocationinpatent:Paragraph0050;0064-0067;0081-0084;0098-0101;...

881677-11-8    74-89-5   
1-5-(2-fluorophenyl)-1-(pyridin-3-yl-sulfonyl)-1H-pyrrol-3-yl-N-methylmethanamine 

[1]Patent:CN111018835,2020,A.Locationinpatent:Paragraph0031;0034

[2]Patent:CN108558831,2018,A.Locationinpatent:Paragraph0171-0174

[3]Patent:WO2006/36024,2006,A1.Locationinpatent:Page/Pagecolumn338-339;387

[4]JournalofMedicinalChemistry,2012,vol.55,p.4446-4456

[5]Patent:EP2336107,2015,B1.Locationinpatent:Paragraph0595

[6]Patent:CN106380464,2017,A.Locationinpatent:Paragraph0023-0033

[7]Patent:CN108503621,2018,A.Locationinpatent:Paragraph0030;0047;0048;0051;0052;0055;0056

[8]Patent:CN110590746,2019,A.Locationinpatent:Paragraph0077-0082;0084

[9]Patent:CN110563699,2019,A.Locationinpatent:Paragraph0018-0033

881674-56-2   
1-5-(2-fluorophenyl)-1-(pyridin-3-yl-sulfonyl)-1H-pyrrol-3-yl-N-methylmethanamine 

[1]JournalofMedicinalChemistry,2012,vol.55,p.4446-4456

[2]Patent:EP2336107,2015,B1

[3]Patent:CN105085484,2017,B

[4]Patent:CN110590746,2019,A

[1]Arikawa,Yasuyoshi;Nishida,Haruyuki;Kurasawa,Osamu;Hasuoka,Atsushi;Hirase,Keizo;Inatomi,Nobuhiro;Hori,Yasunobu;Matsukawa,Jun;Imanishi,Akio;Kondo,Mitsuyo;Tarui,Naoki;Hamada,Teruki;Takagi,Terufumi;Takeuchi,Toshiyuki;Kajino,Masahiro[JournalofMedicinalChemistry,2012,vol.55,#9,p.4446-4456]

[2]CurrentPatentAssignee:TAKEDAPHARMACEUTICALCOMPANYLIMITED-EP2336107,2015,B1

[3]CurrentPatentAssignee:SHANGHAILIDAOMEDICINETECH-CN108558831,2018,A

[4]CurrentPatentAssignee:WEIHAIDISUPHARMACEUTICAL;DISHAPHARMACEUTICALGROUP-CN109232537,2019,A

[5]CurrentPatentAssignee:SHENZHENDONGYANGGUANGINDUSTRIALDEVELOPMENTCOLTD-CN114195694,2022,A

[1]CurrentPatentAssignee:TAKEDAPHARMACEUTICALCOMPANYLIMITED-EP2336107,2015,B1

[2]CurrentPatentAssignee:SHANDONGJINCHENGPHARMACEUTICAL&CHEMICALCO.,LTD.-CN106366071,2017,A

[3]CurrentPatentAssignee:SHANGHAILIDAOMEDICINETECH-CN108558831,2018,A

[4]CurrentPatentAssignee:BEIJINGFUYUANMEDICINE-CN113861167,2021,A

[5]CurrentPatentAssignee:BEIJINGFUYUANMEDICINE-CN113861167,2021,A

[6]CurrentPatentAssignee:BEIJINGFUYUANMEDICINE-CN113861167,2021,A

Literature

Title: Discovery of a novel pyrrole derivative 1-[5-(2-fluorophenyl)-1-(pyridin-3-ylsulfonyl)-1H-pyrrol-3-yl]-N-methylmethanamine fumarate (TAK-438) as a potassium-competitive acid blocker (P-CAB).

Journal: Journal of medicinal chemistry 20120510

Title: High-throughput screening of potassium-competitive acid blockers.

Journal: Journal of biomolecular screening 20120201

Title: Characterization of a novel potassium-competitive acid blocker of the gastric H,K-ATPase, 1-[5-(2-fluorophenyl)-1-(pyridin-3-ylsulfonyl)-1H-pyrrol-3-yl]-N-methylmethanamine monofumarate (TAK-438).

Journal: The Journal of pharmacology and experimental therapeutics 20111101

Title: A study comparing the antisecretory effect of TAK-438, a novel potassium-competitive acid blocker, with lansoprazole in animals.

Journal: The Journal of pharmacology and experimental therapeutics 20110601

Title: A comparative study on the modes of action of TAK-438, a novel potassium-competitive acid blocker, and lansoprazole in primary cultured rabbit gastric glands.

Journal: Biochemical pharmacology 20110501

Title: 1-[5-(2-Fluorophenyl)-1-(pyridin-3-ylsulfonyl)-1H-pyrrol-3-yl]-N-methylmethanamine monofumarate (TAK-438), a novel and potent potassium-competitive acid blocker for the treatment of acid-related diseases.

Journal: The Journal of pharmacology and experimental therapeutics 20101001

Title: Arikawa Y, et al. Discovery of a novel pyrrole derivative 1--(2-fluorophenyl)-1-(pyridin-3-ylsulfonyl)-1H-pyrrol-3-yl-N-methylmethanamine fumarate (TAK-438) as a potassium-competitive acid blocker (P-CAB). J Med Chem, 2012, 55(9), 4446-4456.

Title: Hori Y, et al. 1--(2-Fluorophenyl)-1-(pyridin-3-ylsulfonyl)-1H-pyrrol-3-yl-N-methylmethanamine monofumarate (TAK-438), a novel and potent potassium-competitive acid blocker for the treatment of acid-related diseases. J Pharmacol Exp Ther, 2010, 335(1), 231-238.

Title: Sugimoto M, et al. Role of Vonoprazan in Helicobacter pylori Eradication Therapy in Japan. Front Pharmacol. 2019 Jan 15;9:1560.

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SDS
Tags:881681-00-1 Molecular Formula|881681-00-1 MDL|881681-00-1 SMILES|881681-00-1 Tak-438
Catalog No.: AA00GU8Q
881681-00-1,MFCD27987913
881681-00-1 | Tak-438
Pack Size: 1mg
Purity: 98%
in stock
$6.00 $4.00
Pack Size: 250mg
Purity: 97%
in stock
$91.00 $64.00
Pack Size: 1g
Purity: 97%
in stock
$202.00 $142.00
Pack Size: 5g
Purity: 97%
in stock
$758.00 $530.00
Pack Size: 10g
Purity: 97%
in stock
$1,456.00 $1,019.00
Pack Size: 25g
Purity: 97%
in stock
$2,680.00 $1,876.00
Quantity
- +
Add to Card
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Technical Information
Catalog Number: AA00GU8Q
Chemical Name: Tak-438
CAS Number: 881681-00-1
Molecular Formula: C17H16FN3O2S
Molecular Weight: 345.3912
MDL Number: MFCD27987913
SMILES: CNCc1cc(n(c1)S(=O)(=O)c1cccnc1)c1ccccc1F
Properties
Complexity: 511  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 0  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 24  
Hydrogen Bond Acceptor Count: 5  
Hydrogen Bond Donor Count: 1  
Isotope Atom Count: 0  
Rotatable Bond Count: 5  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: 2  
Downstream Synthesis Route
1-5-(2-fluorophenyl)-1-(pyridin-3-ylsulfonyl)-1H-pyrrol-3-yl-N-methylmethanamine 
  110-17-8   
1-5-(2-fluorophenyl)-1-(pyridin-3-ylsulfonyl)-1H-pyrrol-3-yl-N-methylmethanaminemonofumarate 

[1]CurrentPatentAssignee:NANJINGGRITPHARMA-CN105085484,2017,BLocationinpatent:Paragraph0066;0079-0081;0094;0105

[2]CurrentPatentAssignee:LUNANPHARMACEUTICALGROUPCORP-CN114149412,2022,ALocationinpatent:Paragraph0017;0050;0053;0055;0058-0059;0062-0063;...

[3]CurrentPatentAssignee:ZHEJIANGCHIRALMEDICINECHEMICALS-CN113861166,2021,ALocationinpatent:Paragraph0071-0078

[4]CurrentPatentAssignee:NANJINGHEALTHNICEMEDICALTECHNOLOGY-CN105315258,2016,ALocationinpatent:Paragraph0012;0013;0014

[5]CurrentPatentAssignee:BEIJINGAOHEDRUGINST;JILINSIHUANPHARMA;BEIJINGSIHUANPHARM-CN110590746,2019,ALocationinpatent:Paragraph0088-0103

[6]CurrentPatentAssignee:BEIJINGAOHEDRUGINST;JILINSIHUANPHARMA;BEIJINGSIHUANPHARM-CN110590746,2019,ALocationinpatent:Paragraph0082;0085-0087

[7]CurrentPatentAssignee:TAKEDAPHARMACEUTICALCOMPANYLIMITED-EP2336107,2015,B1Locationinpatent:Paragraph0595

[8]CurrentPatentAssignee:SHANDONGKANGMEILEPHARMACEUTICALTECHNOLOGYCOLTD-CN104860923,2018,BLocationinpatent:Paragraph0028;0038-0040

[9]CurrentPatentAssignee:TAKEDAPHARMACEUTICALCOMPANYLIMITED-US2007/60623,2007,A1Locationinpatent:Page/Pagecolumn54

[10]CurrentPatentAssignee:TAKEDAPHARMACEUTICALCOMPANYLIMITED-WO2006/36024,2006,A1Locationinpatent:Page/Pagecolumn338-339;387

[11]Locationinpatent:experimentalpartArikawa,Yasuyoshi;Nishida,Haruyuki;Kurasawa,Osamu;Hasuoka,Atsushi;Hirase,Keizo;Inatomi,Nobuhiro;Hori,Yasunobu;Matsukawa,Jun;Imanishi,Akio;Kondo,Mitsuyo;Tarui,Naoki;Hamada,Teruki;Takagi,Terufumi;Takeuchi,Toshiyuki;Kajino,Masahiro[JournalofMedicinalChemistry,2012,vol.55,#9,p.4446-4456]

[12]CurrentPatentAssignee:SHOUGUANGFUKANGPHARMACEUTICAL-CN105646453,2016,ALocationinpatent:Paragraph0017;0022;0023

[13]CurrentPatentAssignee:SHANDONGJINCHENGPHARMACEUTICAL&CHEMICALCO.,LTD.-CN106366071,2017,ALocationinpatent:Paragraph0023;0070;0071;0072

[14]Yu,Qian-Ying;Zeng,Huang;Yao,Kai;Li,Jian-Qi;Liu,Yu[SyntheticCommunications,2017,vol.47,#12,p.1169-1174]

[15]CurrentPatentAssignee:GUANGDONGSCIENTIFICFINDERPHARMACEUTICALTECH-CN107011325,2017,ALocationinpatent:Paragraph0020;0021;0022;0023

[16]CurrentPatentAssignee:HAISCOPHARMACEUTICALGROUPCO.,LTD.-CN107759568,2018,ALocationinpatent:Paragraph0557;0558

[17]CurrentPatentAssignee:BEIJINGMANGEPHARMACEUTICALST;SHANGHAIZHONGTUOPHARMACEUTICALTECH-CN108503621,2018,ALocationinpatent:Paragraph0030;0049;0050;0053;0054;0057;0058

[18]CurrentPatentAssignee:LUNANPHARMACEUTICALGROUPCOLTD-CN113549054,2021,ALocationinpatent:Paragraph0039;0084;0086-0087;0089-0090;0092

[19]CurrentPatentAssignee:BEIJINGFUYUANMEDICINE-CN113861167,2021,ALocationinpatent:Paragraph0050;0064-0067;0081-0084;0098-0101;...

881677-11-8    74-89-5   
1-5-(2-fluorophenyl)-1-(pyridin-3-yl-sulfonyl)-1H-pyrrol-3-yl-N-methylmethanamine 

[1]Patent:CN111018835,2020,A.Locationinpatent:Paragraph0031;0034

[2]Patent:CN108558831,2018,A.Locationinpatent:Paragraph0171-0174

[3]Patent:WO2006/36024,2006,A1.Locationinpatent:Page/Pagecolumn338-339;387

[4]JournalofMedicinalChemistry,2012,vol.55,p.4446-4456

[5]Patent:EP2336107,2015,B1.Locationinpatent:Paragraph0595

[6]Patent:CN106380464,2017,A.Locationinpatent:Paragraph0023-0033

[7]Patent:CN108503621,2018,A.Locationinpatent:Paragraph0030;0047;0048;0051;0052;0055;0056

[8]Patent:CN110590746,2019,A.Locationinpatent:Paragraph0077-0082;0084

[9]Patent:CN110563699,2019,A.Locationinpatent:Paragraph0018-0033

881674-56-2   
1-5-(2-fluorophenyl)-1-(pyridin-3-yl-sulfonyl)-1H-pyrrol-3-yl-N-methylmethanamine 

[1]JournalofMedicinalChemistry,2012,vol.55,p.4446-4456

[2]Patent:EP2336107,2015,B1

[3]Patent:CN105085484,2017,B

[4]Patent:CN110590746,2019,A

655-15-2    881681-00-1 

[1]Arikawa,Yasuyoshi;Nishida,Haruyuki;Kurasawa,Osamu;Hasuoka,Atsushi;Hirase,Keizo;Inatomi,Nobuhiro;Hori,Yasunobu;Matsukawa,Jun;Imanishi,Akio;Kondo,Mitsuyo;Tarui,Naoki;Hamada,Teruki;Takagi,Terufumi;Takeuchi,Toshiyuki;Kajino,Masahiro[JournalofMedicinalChemistry,2012,vol.55,#9,p.4446-4456]

[2]CurrentPatentAssignee:TAKEDAPHARMACEUTICALCOMPANYLIMITED-EP2336107,2015,B1

[3]CurrentPatentAssignee:SHANGHAILIDAOMEDICINETECH-CN108558831,2018,A

[4]CurrentPatentAssignee:WEIHAIDISUPHARMACEUTICAL;DISHAPHARMACEUTICALGROUP-CN109232537,2019,A

[5]CurrentPatentAssignee:SHENZHENDONGYANGGUANGINDUSTRIALDEVELOPMENTCOLTD-CN114195694,2022,A

445-27-2    881681-00-1 

[1]CurrentPatentAssignee:TAKEDAPHARMACEUTICALCOMPANYLIMITED-EP2336107,2015,B1

[2]CurrentPatentAssignee:SHANDONGJINCHENGPHARMACEUTICAL&CHEMICALCO.,LTD.-CN106366071,2017,A

[3]CurrentPatentAssignee:SHANGHAILIDAOMEDICINETECH-CN108558831,2018,A

[4]CurrentPatentAssignee:BEIJINGFUYUANMEDICINE-CN113861167,2021,A

[5]CurrentPatentAssignee:BEIJINGFUYUANMEDICINE-CN113861167,2021,A

[6]CurrentPatentAssignee:BEIJINGFUYUANMEDICINE-CN113861167,2021,A

Literature fold

Title: Discovery of a novel pyrrole derivative 1-[5-(2-fluorophenyl)-1-(pyridin-3-ylsulfonyl)-1H-pyrrol-3-yl]-N-methylmethanamine fumarate (TAK-438) as a potassium-competitive acid blocker (P-CAB).

Journal: Journal of medicinal chemistry20120510

Title: High-throughput screening of potassium-competitive acid blockers.

Journal: Journal of biomolecular screening20120201

Title: Characterization of a novel potassium-competitive acid blocker of the gastric H,K-ATPase, 1-[5-(2-fluorophenyl)-1-(pyridin-3-ylsulfonyl)-1H-pyrrol-3-yl]-N-methylmethanamine monofumarate (TAK-438).

Journal: The Journal of pharmacology and experimental therapeutics20111101

Title: A study comparing the antisecretory effect of TAK-438, a novel potassium-competitive acid blocker, with lansoprazole in animals.

Journal: The Journal of pharmacology and experimental therapeutics20110601

Title: A comparative study on the modes of action of TAK-438, a novel potassium-competitive acid blocker, and lansoprazole in primary cultured rabbit gastric glands.

Journal: Biochemical pharmacology20110501

Title: 1-[5-(2-Fluorophenyl)-1-(pyridin-3-ylsulfonyl)-1H-pyrrol-3-yl]-N-methylmethanamine monofumarate (TAK-438), a novel and potent potassium-competitive acid blocker for the treatment of acid-related diseases.

Journal: The Journal of pharmacology and experimental therapeutics20101001

Title: Arikawa Y, et al. Discovery of a novel pyrrole derivative 1--(2-fluorophenyl)-1-(pyridin-3-ylsulfonyl)-1H-pyrrol-3-yl-N-methylmethanamine fumarate (TAK-438) as a potassium-competitive acid blocker (P-CAB). J Med Chem, 2012, 55(9), 4446-4456.

Title: Hori Y, et al. 1--(2-Fluorophenyl)-1-(pyridin-3-ylsulfonyl)-1H-pyrrol-3-yl-N-methylmethanamine monofumarate (TAK-438), a novel and potent potassium-competitive acid blocker for the treatment of acid-related diseases. J Pharmacol Exp Ther, 2010, 335(1), 231-238.

Title: Sugimoto M, et al. Role of Vonoprazan in Helicobacter pylori Eradication Therapy in Japan. Front Pharmacol. 2019 Jan 15;9:1560.

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