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Home Other Building Blocks 949100-39-4
949100-39-4,MFCD31657352
Catalog No.:AA01ENTU

949100-39-4 | Delcasertib

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1mg
95%
1 week  
$301.00   $211.00
- +
5mg
95%
1 week  
$672.00   $471.00
- +
10mg
95%
1 week  
$947.00   $663.00
- +
25mg
95%
1 week  
$1,406.00   $984.00
- +
50mg
95%
1 week  
$1,909.00   $1,336.00
- +
100mg
95%
1 week  
$2,549.00   $1,784.00
- +
  • Technical Information
  • Properties
  • Literature
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  • Technical Information
  • Properties
  • Literature
Technical Information
Catalog Number:
AA01ENTU
Chemical Name:
Delcasertib
CAS Number:
949100-39-4
Molecular Formula:
C120H199N45O34S2
Molecular Weight:
2880.2752
MDL Number:
MFCD31657352
SMILES:
NCCCC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O)CCCNC(=N)N)CCCNC(=N)N)CCCNC(=N)N)CCC(=O)N)CCCNC(=N)N)CCCNC(=N)N)CCCCN)NC(=O)[C@@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](CSSC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)O)CC(C)C)CO)CC(C)C)CCC(=O)O)Cc1ccc(cc1)O)CO)CC(=O)N)Cc1ccccc1)CO)N)N)Cc1ccc(cc1)O)CCCNC(=N)N
Properties
Computed Properties
 
Complexity:
6270  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
21  
Heavy Atom Count:
201  
Hydrogen Bond Acceptor Count:
46  
Hydrogen Bond Donor Count:
53  
Rotatable Bond Count:
108  
XLogP3:
-19.7  

Literature

Title: PKC delta and epsilon in drug targeting and therapeutics.

Journal: Recent patents on DNA & gene sequences 20090101

Title: Miyaji Y, et al. Distribution of KAI-9803, a novel δ-protein kinase C inhibitor, after intravenous administration to rats. Drug Metab Dispos. 2011 Oct;39(10):1946-53.

Title: Bates E, et al. Intracoronary KAI-9803 as an adjunct to primary percutaneous coronary intervention for acute ST-segment elevation myocardial infarction. Circulation. 2008 Feb 19;117(7):886-96.

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SDS
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Tags:949100-39-4 Molecular Formula|949100-39-4 MDL|949100-39-4 SMILES|949100-39-4 Delcasertib