540737-29-9,MFCD11616529
Catalog No.:AA00DDT0

540737-29-9 | 2-hydroxypropane-1,2,3-tricarboxylic acid; 3-[(3R,4R)-4-methyl-3-[methyl({7H-pyrrolo[2,3-d]pyrimidin-4-yl})amino]piperidin-1-yl]-3-oxopropanenitrile

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1mg
99%
in stock  
$6.00   $4.00
- +
250mg
95%
in stock  
$32.00   $23.00
- +
1g
95%
in stock  
$96.00   $67.00
- +
5g
99%
in stock  
$260.00   $182.00
- +
25g
97%
in stock  
$1,154.00 $808.00
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA00DDT0
Chemical Name:
2-hydroxypropane-1,2,3-tricarboxylic acid; 3-[(3R,4R)-4-methyl-3-[methyl({7H-pyrrolo[2,3-d]pyrimidin-4-yl})amino]piperidin-1-yl]-3-oxopropanenitrile
CAS Number:
540737-29-9
Molecular Formula:
C22H28N6O8
Molecular Weight:
504.4931
MDL Number:
MFCD11616529
SMILES:
OC(=O)CC(C(=O)O)(CC(=O)O)O.N#CCC(=O)N1CC[C@H]([C@H](C1)N(c1ncnc2c1cc[nH]2)C)C
Properties
Computed Properties
 
Complexity:
716  
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
2  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
36  
Hydrogen Bond Acceptor Count:
12  
Hydrogen Bond Donor Count:
5  
Isotope Atom Count:
0  
Rotatable Bond Count:
8  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  

Downstream Synthesis Route
384336-73-6   
CASUnavailable 
  56657-76-2    77-92-9    540737-29-9 

[1]CurrentPatentAssignee:PFIZERINC-US2003/130292,2003,A1

[1]CurrentPatentAssignee:QILUPHARMACEUTICALGROUPCOLTD-CN108276414,2018,ALocationinpatent:Paragraph0042;0043

[2]Price,KristinE.;Larrivee-Aboussafy,Claude;Lillie,BrettM.;McLaughlin,RobertW.;Mustakis,Jason;Hettenbach,KevinW.;Hawkins,JoelM.;Vaidyanathan,Rajappa[OrganicLetters,2009,vol.11,#9,p.2003-2006]

[3]CurrentPatentAssignee:SHANDONGTIANMINGPHARMACEUTICALTECH-CN112679506,2021,ALocationinpatent:Paragraph0027;0053-0054

[4]CurrentPatentAssignee:MSNLABORATORIESPRIVATELIMITED;SAMSUNGELECTRONICSCO.,LTD.-US2016/122354,2016,A1Locationinpatent:Paragraph0173

[5]CurrentPatentAssignee:SUNPHARMACEUTICALINDUSTRIESLIMITED-WO2016/132341,2016,A1Locationinpatent:Page/Pagecolumn10

[6]CurrentPatentAssignee:JIANGSUYONGANPHARMACEUTICAL-CN110003220,2019,ALocationinpatent:Paragraph0042;0046-0051;0090-0097

[7]CurrentPatentAssignee:ANHUITINGWORLDPHARMACEUTICAL-CN113735860,2021,ALocationinpatent:Paragraph0019;0032-0033;0037-0039;0043-0045;0049;...

[1]CurrentPatentAssignee:CSPCPHARMACEUTICALGROUPLIMITED-CN110343111,2019,ALocationinpatent:Page/Pagecolumn5-10

[2]CurrentPatentAssignee:LUOXINPHARMACEUTICALSGROUPSTOCKCOLTD-CN105884781,2016,ALocationinpatent:Paragraph0063

[3]CurrentPatentAssignee:LUOXINPHARMACEUTICALSGROUPSTOCKCOLTD-CN108997355,2018,ALocationinpatent:Paragraph0020;0021;0022;0025;0028

[4]CurrentPatentAssignee:SHANDONGUNIVERSITY-CN106146517,2016,ALocationinpatent:Paragraph0045;0051;0052;0065;0066-0070

[5]CurrentPatentAssignee:ZHEJIANGHUAHAIPHARMACEUTICALCO.,LTD.-CN114685510,2022,ALocationinpatent:Paragraph0047;0056-0058;0067-0069;0078-0079

[6]CurrentPatentAssignee:TEVAPHARMACEUTICALINDUSTRIESLTD.-WO2010/123919,2010,A2Locationinpatent:Page/Pagecolumn54-55

[7]CurrentPatentAssignee:KYUNGDONGPHARM.CO.,LTD.-KR2019/90729,2019,ALocationinpatent:Paragraph0097-0101

[8]CurrentPatentAssignee:GLENMARKPHARMACEUTICALSLTD-WO2014/102826,2014,A1Locationinpatent:Paragraph0297

[9]CurrentPatentAssignee:MSNLABORATORIESPRIVATELIMITED;SAMSUNGELECTRONICSCO.,LTD.-US2016/122354,2016,A1Locationinpatent:Paragraph0171;0172

[10]CurrentPatentAssignee:NANTONGCHANGYOUPHARMACEUTICALTECH-CN105732641,2016,ALocationinpatent:Paragraph0020

[11]CurrentPatentAssignee:SUNPHARMACEUTICALINDUSTRIESLIMITED-WO2016/132341,2016,A1Locationinpatent:Page/Pagecolumn6;7

[12]CurrentPatentAssignee:P&RSPA-US2016/297825,2016,A1Locationinpatent:Paragraph0105-0108

[13]CurrentPatentAssignee:YANGTZERIVERPHARMACEUTICALGROUPCOLTD-CN107793418,2018,ALocationinpatent:Paragraph0083;0084;0085;0086;0089

[14]CurrentPatentAssignee:SINOBIOPHARMACEUTICALLIMITED-CN108948020,2018,ALocationinpatent:Paragraph0025;0030;0031

[15]CurrentPatentAssignee:LEADINGPHARMMEDICALTECH-CN109776547,2019,ALocationinpatent:Paragraph0045;0048-0049

[16]CurrentPatentAssignee:GUANGZHOUYIPINHONGPHARMACEUTICAL-CN110437234,2019,ALocationinpatent:Paragraph0063-0091

[17]CurrentPatentAssignee:SICHUANUNIVERSITY-CN110724146,2020,ALocationinpatent:Page/Pagecolumn8-14

[18]CurrentPatentAssignee:JIANGSUHYKMEDICALTECH-CN110668995,2020,ALocationinpatent:Paragraph0090-0093

[19]Siadati,SeyyedAmir;Soheilizad,Mehdi;Firoozpour,Loghman;Samadi,Marjan;Payab,Meghdad;Bagherpour,Saeed;Mousavi,SeyyedMehdi[JournalofChemistry,2022,vol.2022]

[1]CurrentPatentAssignee:JINANYANGNUOBIOTECHNOLOGY-CN106146507,2016,ALocationinpatent:Paragraph0031;0032;0033;0034

[2]CurrentPatentAssignee:PFIZERINC-WO2007/12953,2007,A2Locationinpatent:Page/Pagecolumn23-24

[1]Locationinpatent:experimentalpartFlanagan,MarkE.;Blumenkopf,ToddA.;Brissette,WilliamH.;Brown,MatthewF.;Casavant,JeffreyM.;Shang-Poa,Chang;Doty,JonathanL.;Elliott,EileenA.;Fisher,MichaelB.;Hines,Michael;Kent,Craig;Kudlacz,ElizabethM.;Lillie,BrettM.;Magnuson,KellyS.;McCurdy,SandraP.;Munchhof,MichaelJ.;Perry,BretD.;Sawyer,PerryS.;Strelevitz,TimothyJ.;Subramanyam,Chakrapani;Sun,Jianmin;Whipple,DavidA.;Changelian,PaulS.[JournalofMedicinalChemistry,2010,vol.53,#24,p.8468-8484]

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SDS
Tags:540737-29-9 Molecular Formula|540737-29-9 MDL|540737-29-9 SMILES|540737-29-9 2-hydroxypropane-1,2,3-tricarboxylic acid; 3-[(3R,4R)-4-methyl-3-[methyl({7H-pyrrolo[2,3-d]pyrimidin-4-yl})amino]piperidin-1-yl]-3-oxopropanenitrile
Catalog No.: AA00DDT0
540737-29-9,MFCD11616529
540737-29-9 | 2-hydroxypropane-1,2,3-tricarboxylic acid; 3-[(3R,4R)-4-methyl-3-[methyl({7H-pyrrolo[2,3-d]pyrimidin-4-yl})amino]piperidin-1-yl]-3-oxopropanenitrile
Pack Size: 1mg
Purity: 99%
in stock
$6.00 $4.00
Pack Size: 250mg
Purity: 95%
in stock
$32.00 $23.00
Pack Size: 1g
Purity: 95%
in stock
$96.00 $67.00
Pack Size: 5g
Purity: 99%
in stock
$260.00 $182.00
Pack Size: 25g
Purity: 97%
in stock
$1,154.00 $808.00
Quantity
- +
Add to Card
Order Now
bulk Quotation Request
Technical Information
Catalog Number: AA00DDT0
Chemical Name: 2-hydroxypropane-1,2,3-tricarboxylic acid; 3-[(3R,4R)-4-methyl-3-[methyl({7H-pyrrolo[2,3-d]pyrimidin-4-yl})amino]piperidin-1-yl]-3-oxopropanenitrile
CAS Number: 540737-29-9
Molecular Formula: C22H28N6O8
Molecular Weight: 504.4931
MDL Number: MFCD11616529
SMILES: OC(=O)CC(C(=O)O)(CC(=O)O)O.N#CCC(=O)N1CC[C@H]([C@H](C1)N(c1ncnc2c1cc[nH]2)C)C
Properties
Complexity: 716  
Covalently-Bonded Unit Count: 2  
Defined Atom Stereocenter Count: 2  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 36  
Hydrogen Bond Acceptor Count: 12  
Hydrogen Bond Donor Count: 5  
Isotope Atom Count: 0  
Rotatable Bond Count: 8  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
Downstream Synthesis Route
384336-73-6   
CASUnavailable 
  56657-76-2    77-92-9    540737-29-9 

[1]CurrentPatentAssignee:PFIZERINC-US2003/130292,2003,A1

477600-74-1    105-56-6    77-92-9    540737-29-9 

[1]CurrentPatentAssignee:QILUPHARMACEUTICALGROUPCOLTD-CN108276414,2018,ALocationinpatent:Paragraph0042;0043

[2]Price,KristinE.;Larrivee-Aboussafy,Claude;Lillie,BrettM.;McLaughlin,RobertW.;Mustakis,Jason;Hettenbach,KevinW.;Hawkins,JoelM.;Vaidyanathan,Rajappa[OrganicLetters,2009,vol.11,#9,p.2003-2006]

[3]CurrentPatentAssignee:SHANDONGTIANMINGPHARMACEUTICALTECH-CN112679506,2021,ALocationinpatent:Paragraph0027;0053-0054

[4]CurrentPatentAssignee:MSNLABORATORIESPRIVATELIMITED;SAMSUNGELECTRONICSCO.,LTD.-US2016/122354,2016,A1Locationinpatent:Paragraph0173

[5]CurrentPatentAssignee:SUNPHARMACEUTICALINDUSTRIESLIMITED-WO2016/132341,2016,A1Locationinpatent:Page/Pagecolumn10

[6]CurrentPatentAssignee:JIANGSUYONGANPHARMACEUTICAL-CN110003220,2019,ALocationinpatent:Paragraph0042;0046-0051;0090-0097

[7]CurrentPatentAssignee:ANHUITINGWORLDPHARMACEUTICAL-CN113735860,2021,ALocationinpatent:Paragraph0019;0032-0033;0037-0039;0043-0045;0049;...

477600-75-2    77-92-9    540737-29-9 

[1]CurrentPatentAssignee:CSPCPHARMACEUTICALGROUPLIMITED-CN110343111,2019,ALocationinpatent:Page/Pagecolumn5-10

[2]CurrentPatentAssignee:LUOXINPHARMACEUTICALSGROUPSTOCKCOLTD-CN105884781,2016,ALocationinpatent:Paragraph0063

[3]CurrentPatentAssignee:LUOXINPHARMACEUTICALSGROUPSTOCKCOLTD-CN108997355,2018,ALocationinpatent:Paragraph0020;0021;0022;0025;0028

[4]CurrentPatentAssignee:SHANDONGUNIVERSITY-CN106146517,2016,ALocationinpatent:Paragraph0045;0051;0052;0065;0066-0070

[5]CurrentPatentAssignee:ZHEJIANGHUAHAIPHARMACEUTICALCO.,LTD.-CN114685510,2022,ALocationinpatent:Paragraph0047;0056-0058;0067-0069;0078-0079

[6]CurrentPatentAssignee:TEVAPHARMACEUTICALINDUSTRIESLTD.-WO2010/123919,2010,A2Locationinpatent:Page/Pagecolumn54-55

[7]CurrentPatentAssignee:KYUNGDONGPHARM.CO.,LTD.-KR2019/90729,2019,ALocationinpatent:Paragraph0097-0101

[8]CurrentPatentAssignee:GLENMARKPHARMACEUTICALSLTD-WO2014/102826,2014,A1Locationinpatent:Paragraph0297

[9]CurrentPatentAssignee:MSNLABORATORIESPRIVATELIMITED;SAMSUNGELECTRONICSCO.,LTD.-US2016/122354,2016,A1Locationinpatent:Paragraph0171;0172

[10]CurrentPatentAssignee:NANTONGCHANGYOUPHARMACEUTICALTECH-CN105732641,2016,ALocationinpatent:Paragraph0020

[11]CurrentPatentAssignee:SUNPHARMACEUTICALINDUSTRIESLIMITED-WO2016/132341,2016,A1Locationinpatent:Page/Pagecolumn6;7

[12]CurrentPatentAssignee:P&RSPA-US2016/297825,2016,A1Locationinpatent:Paragraph0105-0108

[13]CurrentPatentAssignee:YANGTZERIVERPHARMACEUTICALGROUPCOLTD-CN107793418,2018,ALocationinpatent:Paragraph0083;0084;0085;0086;0089

[14]CurrentPatentAssignee:SINOBIOPHARMACEUTICALLIMITED-CN108948020,2018,ALocationinpatent:Paragraph0025;0030;0031

[15]CurrentPatentAssignee:LEADINGPHARMMEDICALTECH-CN109776547,2019,ALocationinpatent:Paragraph0045;0048-0049

[16]CurrentPatentAssignee:GUANGZHOUYIPINHONGPHARMACEUTICAL-CN110437234,2019,ALocationinpatent:Paragraph0063-0091

[17]CurrentPatentAssignee:SICHUANUNIVERSITY-CN110724146,2020,ALocationinpatent:Page/Pagecolumn8-14

[18]CurrentPatentAssignee:JIANGSUHYKMEDICALTECH-CN110668995,2020,ALocationinpatent:Paragraph0090-0093

[19]Siadati,SeyyedAmir;Soheilizad,Mehdi;Firoozpour,Loghman;Samadi,Marjan;Payab,Meghdad;Bagherpour,Saeed;Mousavi,SeyyedMehdi[JournalofChemistry,2022,vol.2022]

477600-74-1    372-09-8    77-92-9    540737-29-9 

[1]CurrentPatentAssignee:JINANYANGNUOBIOTECHNOLOGY-CN106146507,2016,ALocationinpatent:Paragraph0031;0032;0033;0034

[2]CurrentPatentAssignee:PFIZERINC-WO2007/12953,2007,A2Locationinpatent:Page/Pagecolumn23-24

477600-73-0    56657-76-2    77-92-9    540737-29-9 

[1]Locationinpatent:experimentalpartFlanagan,MarkE.;Blumenkopf,ToddA.;Brissette,WilliamH.;Brown,MatthewF.;Casavant,JeffreyM.;Shang-Poa,Chang;Doty,JonathanL.;Elliott,EileenA.;Fisher,MichaelB.;Hines,Michael;Kent,Craig;Kudlacz,ElizabethM.;Lillie,BrettM.;Magnuson,KellyS.;McCurdy,SandraP.;Munchhof,MichaelJ.;Perry,BretD.;Sawyer,PerryS.;Strelevitz,TimothyJ.;Subramanyam,Chakrapani;Sun,Jianmin;Whipple,DavidA.;Changelian,PaulS.[JournalofMedicinalChemistry,2010,vol.53,#24,p.8468-8484]

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