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1691249-45-2,MFCD31567461
Catalog No.:AA01EN1J

1691249-45-2 | Zanubrutinib

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1mg
97%
in stock  
$39.00   $27.00
- +
100mg
97%
in stock  
$620.00   $434.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA01EN1J
Chemical Name:
Zanubrutinib
CAS Number:
1691249-45-2
Molecular Formula:
C27H29N5O3
Molecular Weight:
471.5509
MDL Number:
MFCD31567461
SMILES:
C=CC(=O)N1CCC(CC1)[C@@H]1CCNc2n1nc(c2C(=O)N)c1ccc(cc1)Oc1ccccc1
Properties
Computed Properties
 
Complexity:
756  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
35  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0  
Rotatable Bond Count:
6  
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0  
XLogP3:
3.5  

Downstream Synthesis Route
7-(1-acryloylpiperidin-4-yl)-2-(4-phenoxyphenyl)-4,5,6,7-tetrahydropyrazolo1,5-apyrimidine-3-carboxamide 
  1691249-45-2   
(7R)-7-(1-acryloylpiperidin-4-yl)-2-(4-phenoxyphenyl)-4,5,6,7-tetrahydropyrazolo1,5-apyrimidine-3-carboxamide 

[1]CurrentPatentAssignee:KY11108GEORGETOWNGRANDCAYMAN;BEIGENELTD.-WO2014/173289,2014,A1Locationinpatent:Paragraph0287;0294

[2]CurrentPatentAssignee:BEIGENELTD.-TWI602818,2017,BLocationinpatent:Paragraph0292;0294;0295

[3]Guo,Yunhang;Liu,Ye;Hu,Nan;Yu,Desheng;Zhou,Changyou;Shi,Gongyin;Zhang,Bo;Wei,Min;Liu,Junhua;Luo,Lusong;Tang,Zhiyu;Song,Huipeng;Guo,Yin;Liu,Xuesong;Su,Dan;Zhang,Shuo;Song,Xiaomin;Zhou,Xing;Hong,Yuan;Chen,Shuaishuai;Cheng,Zhenzhen;Young,Steve;Wei,Qiang;Wang,Haisheng;Wang,Qiuwen;Lv,Lei;Wang,Fan;Xu,Haipeng;Sun,Hanzi;Xing,Haimei;Li,Na;Zhang,Wei;Wang,Zhongbo;Liu,Guodong;Sun,Zhijian;Zhou,Dongping;Li,Wei;Liu,Libin;Wang,Lai;Wang,Zhiwei[JournalofMedicinalChemistry,2019,vol.62,#17,p.7923-7940]

(7S)‐2‐(4‐phenoxyphenyl)‐7‐(piperidin‐4‐yl)‐4H,5H,6H,7H‐pyrazolo1,5‐apyrimidine‐3‐carboxamide 
  1691249-45-2 

[1]CurrentPatentAssignee:BEIGENELTD.-WO2018/33135,2018,A1

[2]CurrentPatentAssignee:BEIGENELTD.-TW2018/11794,2018,A

[3]CurrentPatentAssignee:BEIGENELTD.-WO2019/108795,2019,A1

C24H27N5O2*0.5C18H14O8 
  814-68-6    1691249-45-2 

[1]CurrentPatentAssignee:BEIGENELTD.-WO2018/33135,2018,A1Locationinpatent:Paragraph0115-0116

[2]CurrentPatentAssignee:BEIGENELTD.-TW2018/11794,2018,ALocationinpatent:Paragraph0055;0091;0105;0106;0107

[3]CurrentPatentAssignee:BEIGENELTD.-WO2019/108795,2019,A1Locationinpatent:Paragraph0119-0120;0121

330792-70-6   
(S)-7-(1-acryloylpiperidin-4-yl)-2-(4-phenoxyphenyl)-4,5,6,7-tetra-hydropyrazolo1,5-apyrimidine-3-carboxamide 
 
(7R)-7-(1-acryloylpiperidin-4-yl)-2-(4-phenoxyphenyl)-4,5,6,7-tetrahydropyrazolo1,5-apyrimidine-3-carboxamide 

[1]JournalofMedicinalChemistry,2019,vol.62,p.7923-7940

2-(4-phenoxyphenyl)-7-(piperidin-4-yl)-4,5,6,7-tetrahydropyrazolo1,5-apyrimidine-3-carboxamide 
  1691249-45-2   
(7R)-7-(1-acryloylpiperidin-4-yl)-2-(4-phenoxyphenyl)-4,5,6,7-tetrahydropyrazolo1,5-apyrimidine-3-carboxamide 

[1]Guo,Yunhang;Liu,Ye;Hu,Nan;Yu,Desheng;Zhou,Changyou;Shi,Gongyin;Zhang,Bo;Wei,Min;Liu,Junhua;Luo,Lusong;Tang,Zhiyu;Song,Huipeng;Guo,Yin;Liu,Xuesong;Su,Dan;Zhang,Shuo;Song,Xiaomin;Zhou,Xing;Hong,Yuan;Chen,Shuaishuai;Cheng,Zhenzhen;Young,Steve;Wei,Qiang;Wang,Haisheng;Wang,Qiuwen;Lv,Lei;Wang,Fan;Xu,Haipeng;Sun,Hanzi;Xing,Haimei;Li,Na;Zhang,Wei;Wang,Zhongbo;Liu,Guodong;Sun,Zhijian;Zhou,Dongping;Li,Wei;Liu,Libin;Wang,Lai;Wang,Zhiwei[JournalofMedicinalChemistry,2019,vol.62,#17,p.7923-7940]

Literature

Title: Na Li, et al. Abstract 2597: BGB-3111 is a novel and highly selective Bruton's tyrosine kinase (BTK) inhibitor. Cancer Res 2015;75(15 Suppl):Abstract nr 2597.

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Tags:1691249-45-2 Molecular Formula|1691249-45-2 MDL|1691249-45-2 SMILES|1691249-45-2 Zanubrutinib
Catalog No.: AA01EN1J
1691249-45-2,MFCD31567461
1691249-45-2 | Zanubrutinib
Pack Size： 1mg
Purity： 97%
in stock
$39.00 $27.00
Pack Size： 100mg
Purity： 97%
in stock
$620.00 $434.00
Quantity
- +
Add to Card
Order Now
bulk Quotation Request
Technical Information
Catalog Number: AA01EN1J
Chemical Name: Zanubrutinib
CAS Number: 1691249-45-2
Molecular Formula: C27H29N5O3
Molecular Weight: 471.5509
MDL Number: MFCD31567461
SMILES: C=CC(=O)N1CCC(CC1)[C@@H]1CCNc2n1nc(c2C(=O)N)c1ccc(cc1)Oc1ccccc1
Properties
Complexity: 756  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 0  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 35  
Hydrogen Bond Acceptor Count: 5  
Hydrogen Bond Donor Count: 2  
Isotope Atom Count: 0  
Rotatable Bond Count: 6  
Undefined Atom Stereocenter Count: 1  
Undefined Bond Stereocenter Count: 0  
XLogP3: 3.5  
Downstream Synthesis Route
7-(1-acryloylpiperidin-4-yl)-2-(4-phenoxyphenyl)-4,5,6,7-tetrahydropyrazolo1,5-apyrimidine-3-carboxamide 
  1691249-45-2   
(7R)-7-(1-acryloylpiperidin-4-yl)-2-(4-phenoxyphenyl)-4,5,6,7-tetrahydropyrazolo1,5-apyrimidine-3-carboxamide 

[1]CurrentPatentAssignee:KY11108GEORGETOWNGRANDCAYMAN;BEIGENELTD.-WO2014/173289,2014,A1Locationinpatent:Paragraph0287;0294

[2]CurrentPatentAssignee:BEIGENELTD.-TWI602818,2017,BLocationinpatent:Paragraph0292;0294;0295

[3]Guo,Yunhang;Liu,Ye;Hu,Nan;Yu,Desheng;Zhou,Changyou;Shi,Gongyin;Zhang,Bo;Wei,Min;Liu,Junhua;Luo,Lusong;Tang,Zhiyu;Song,Huipeng;Guo,Yin;Liu,Xuesong;Su,Dan;Zhang,Shuo;Song,Xiaomin;Zhou,Xing;Hong,Yuan;Chen,Shuaishuai;Cheng,Zhenzhen;Young,Steve;Wei,Qiang;Wang,Haisheng;Wang,Qiuwen;Lv,Lei;Wang,Fan;Xu,Haipeng;Sun,Hanzi;Xing,Haimei;Li,Na;Zhang,Wei;Wang,Zhongbo;Liu,Guodong;Sun,Zhijian;Zhou,Dongping;Li,Wei;Liu,Libin;Wang,Lai;Wang,Zhiwei[JournalofMedicinalChemistry,2019,vol.62,#17,p.7923-7940]

(7S)‐2‐(4‐phenoxyphenyl)‐7‐(piperidin‐4‐yl)‐4H,5H,6H,7H‐pyrazolo1,5‐apyrimidine‐3‐carboxamide 
  1691249-45-2 

[1]CurrentPatentAssignee:BEIGENELTD.-WO2018/33135,2018,A1

[2]CurrentPatentAssignee:BEIGENELTD.-TW2018/11794,2018,A

[3]CurrentPatentAssignee:BEIGENELTD.-WO2019/108795,2019,A1

C24H27N5O2*0.5C18H14O8 
  814-68-6    1691249-45-2 

[1]CurrentPatentAssignee:BEIGENELTD.-WO2018/33135,2018,A1Locationinpatent:Paragraph0115-0116

[2]CurrentPatentAssignee:BEIGENELTD.-TW2018/11794,2018,ALocationinpatent:Paragraph0055;0091;0105;0106;0107

[3]CurrentPatentAssignee:BEIGENELTD.-WO2019/108795,2019,A1Locationinpatent:Paragraph0119-0120;0121

330792-70-6   
(S)-7-(1-acryloylpiperidin-4-yl)-2-(4-phenoxyphenyl)-4,5,6,7-tetra-hydropyrazolo1,5-apyrimidine-3-carboxamide 
 
(7R)-7-(1-acryloylpiperidin-4-yl)-2-(4-phenoxyphenyl)-4,5,6,7-tetrahydropyrazolo1,5-apyrimidine-3-carboxamide 

[1]JournalofMedicinalChemistry,2019,vol.62,p.7923-7940

2-(4-phenoxyphenyl)-7-(piperidin-4-yl)-4,5,6,7-tetrahydropyrazolo1,5-apyrimidine-3-carboxamide 
  1691249-45-2   
(7R)-7-(1-acryloylpiperidin-4-yl)-2-(4-phenoxyphenyl)-4,5,6,7-tetrahydropyrazolo1,5-apyrimidine-3-carboxamide 

[1]Guo,Yunhang;Liu,Ye;Hu,Nan;Yu,Desheng;Zhou,Changyou;Shi,Gongyin;Zhang,Bo;Wei,Min;Liu,Junhua;Luo,Lusong;Tang,Zhiyu;Song,Huipeng;Guo,Yin;Liu,Xuesong;Su,Dan;Zhang,Shuo;Song,Xiaomin;Zhou,Xing;Hong,Yuan;Chen,Shuaishuai;Cheng,Zhenzhen;Young,Steve;Wei,Qiang;Wang,Haisheng;Wang,Qiuwen;Lv,Lei;Wang,Fan;Xu,Haipeng;Sun,Hanzi;Xing,Haimei;Li,Na;Zhang,Wei;Wang,Zhongbo;Liu,Guodong;Sun,Zhijian;Zhou,Dongping;Li,Wei;Liu,Libin;Wang,Lai;Wang,Zhiwei[JournalofMedicinalChemistry,2019,vol.62,#17,p.7923-7940]

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