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Home Amines 1604810-83-4
1604810-83-4,MFCD28167785
Catalog No.:AA001RUZ

1604810-83-4 | Benzamide, N-[3-[[5-chloro-4-(1H-indol-3-yl)-2-pyrimidinyl]amino]phenyl]-4-[[(2E)-4-(dimethylamino)-1-oxo-2-buten-1-yl]amino]-

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1mg
≥95%
in stock  
$90.00   $63.00
- +
5mg
98% by HPLC
in stock  
$179.00   $125.00
- +
10mg
98% by HPLC
in stock  
$258.00   $180.00
- +
25mg
98% by HPLC
in stock  
$473.00   $331.00
- +
50mg
98% by HPLC
in stock  
$761.00   $533.00
- +
100mg
98% by HPLC
in stock  
$1,270.00   $889.00
- +
500mg
98% by HPLC
in stock  
$3,958.00   $2,771.00
- +
1000mg
98% by HPLC
in stock  
$6,295.00   $4,407.00
- +
  • Technical Information
  • Properties
  • Literature
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  • Technical Information
  • Properties
  • Literature
Technical Information
Catalog Number:
AA001RUZ
Chemical Name:
Benzamide, N-[3-[[5-chloro-4-(1H-indol-3-yl)-2-pyrimidinyl]amino]phenyl]-4-[[(2E)-4-(dimethylamino)-1-oxo-2-buten-1-yl]amino]-
CAS Number:
1604810-83-4
Molecular Formula:
C31H28ClN7O2
Molecular Weight:
566.0527
MDL Number:
MFCD28167785
SMILES:
CN(C/C=C/C(=O)Nc1ccc(cc1)C(=O)Nc1cccc(c1)Nc1ncc(c(n1)c1c[nH]c2c1cccc2)Cl)C
Properties
Computed Properties
 
Complexity:
896  
Covalently-Bonded Unit Count:
1  
Defined Bond Stereocenter Count:
1  
Heavy Atom Count:
41  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
4  
Rotatable Bond Count:
9  
XLogP3:
4.8  

Literature

Title: Targeting transcription regulation in cancer with a covalent CDK7 inhibitor.

Journal: Nature 20140731

Title: Kwiatkowski N, et al. Targeting transcription regulation in cancer with a covalent CDK7 inhibitor. Nature. 2014 Jul 31;511(7511):616-20.

Title: Zeng M, et al. Targeting MYC dependency in ovarian cancer through inhibition of CDK7 and CDK12/13. Elife. 2018 Nov 13;7. pii: e39030.

Title: Christensen CL, et al. Targeting transcriptional addictions in small cell lung cancer with a covalent CDK7 inhibitor. Cancer Cell. 2014 Dec 8;26(6):909-22.

Title: Chipumuro, et al. CDK7 inhibition suppresses super-enhancer-linked oncogenic transcription in MYCN-driven cancer. Cell. 2014 Nov 20;159(5):1126-39. ?

Title: Jiang YY, et al. Targeting super-enhancer-associated oncogenes in oesophageal squamous cell carcinoma. Gut. 2016 May 10. pii: gutjnl-2016-311818.

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SDS
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Tags:1604810-83-4 Molecular Formula|1604810-83-4 MDL|1604810-83-4 SMILES|1604810-83-4 Benzamide, N-[3-[[5-chloro-4-(1H-indol-3-yl)-2-pyrimidinyl]amino]phenyl]-4-[[(2E)-4-(dimethylamino)-1-oxo-2-buten-1-yl]amino]-