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Home Amines 1313363-54-0
1313363-54-0,MFCD28144684
Catalog No.:AA003ASM

1313363-54-0 | (S)-1-(4-Chlorophenyl)-7-isopropoxy-6-methoxy-2-(4-[methyl[4-(4-methyl-3-oxopiperazin-1-yl)-trans-cyclohexylmethyl]amino]phenyl)-1,4-dihydro-2H-isoquinolin-3-one

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1mg
98%
in stock  
$73.00   $51.00
- +
2mg
98%
in stock  
$109.00   $76.00
- +
5mg
98%
in stock  
$184.00   $129.00
- +
10mg
98%
in stock  
$270.00   $189.00
- +
25mg
98%
in stock  
$467.00   $327.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA003ASM
Chemical Name:
(S)-1-(4-Chlorophenyl)-7-isopropoxy-6-methoxy-2-(4-[methyl[4-(4-methyl-3-oxopiperazin-1-yl)-trans-cyclohexylmethyl]amino]phenyl)-1,4-dihydro-2H-isoquinolin-3-one
CAS Number:
1313363-54-0
Molecular Formula:
C38H47ClN4O4
Molecular Weight:
659.2572
MDL Number:
MFCD28144684
SMILES:
COc1cc2CC(=O)N([C@H](c2cc1OC(C)C)c1ccc(cc1)Cl)c1ccc(cc1)N(C[C@@H]1CC[C@H](CC1)N1CCN(C(=O)C1)C)C
Properties
Computed Properties
 
Complexity:
1040  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
1  
Heavy Atom Count:
47  
Hydrogen Bond Acceptor Count:
6  
Rotatable Bond Count:
9  
XLogP3:
6.5  

Downstream Synthesis Route

[1]Patent:US2012/129871,2012,A1

[2]Patent:US2013/245036,2013,A1

[3]JournalofMedicinalChemistry,2015,vol.58,p.6348-6358

[1]Patent:US2012/129871,2012,A1

[2]Patent:US2013/245036,2013,A1

[3]JournalofMedicinalChemistry,2015,vol.58,p.6348-6358

[1]Patent:US2012/129871,2012,A1

[2]Patent:US2013/245036,2013,A1

[1]Patent:US2012/129871,2012,A1

[2]Patent:US2013/245036,2013,A1

[3]JournalofMedicinalChemistry,2015,vol.58,p.6348-6358

[1]Patent:US2012/129871,2012,A1

[2]Patent:US2013/245036,2013,A1

[3]JournalofMedicinalChemistry,2015,vol.58,p.6348-6358

Literature

Title: Holzer P, et al. Discovery of a Dihydroisoquinolinone Derivative (NVP-CGM097): A Highly Potent and Selective MDM2 Inhibitor Undergoing Phase 1 Clinical Trials in p53wt Tumors. J Med Chem. 2015 Aug 27;58(16):6348-58

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SDS
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Tags:1313363-54-0 Molecular Formula|1313363-54-0 MDL|1313363-54-0 SMILES|1313363-54-0 (S)-1-(4-Chlorophenyl)-7-isopropoxy-6-methoxy-2-(4-[methyl[4-(4-methyl-3-oxopiperazin-1-yl)-trans-cyclohexylmethyl]amino]phenyl)-1,4-dihydro-2H-isoquinolin-3-one