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CP 91149

CP 91149 structure

CAS No:
186392-40-5
Formula:
C21H21ClN3O3
Chemical Name:
CP 91149
Synonyms:
CP 91149;[R-(R*,S*)]-5-Chloro-N-[3-(diMethylaMino)-2-hydroxy-3-oxo-1-(phenylMethyl)propyl]-1H-indole-2-carboxaMide;5-Chloro-N-[(1S,2R)-3-(diMethylaMino)-2-hydroxy-3-oxo-1-(phenylMethyl)propyl]-1H-indole-2-carboxaMide;5-chloro-N-((2S,3R)-4-(dimethylamino)-3-hydroxy-4-oxo-1-phenylbutan-2-yl)-1H-indole-2-carboxamide
Categories:
Biochemical Engineering > Inhibitors

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Description

White Solid

CP 91149 Basic Attributes

Molecular Weight：

398.86274

Exact Mass：

399.135

UNII：

O8EV00W45A

DSSTox ID：

DTXSID70171897

Characteristics

PSA：

85.4

XLogP3：

3.2

Appearance：

white to off-white

Melting Point：

190-192°C

Water Solubility：

DMSO: >20mg/mL

Storage Conditions：

Refrigerator

Safety Information

wgk germany：

hazard class code：

Marks：

Precautionary statement(s)：

P264, P270, P301+P312, P330, P501

Hazard Statements：

H302

Drug Information

MeSH Entry Terms：

5-chloro-N-(3-(dimethylamino)-2-hydroxy-3-oxo-1-(phenylmethyl)propyl)-1H-indole-2-carboxamide

CP 91149 Use and Manufacturing

Inhibition of glycogen phosphorylase (GP) by CP-91,149 induces growth inhibition correlating with brain GP expression. Antitumor agent.

Computed Properties

Molecular Weight:399.9
XLogP3:3.2
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:6
Exact Mass:399.1349693
Monoisotopic Mass:399.1349693
Topological Polar Surface Area:85.4
Heavy Atom Count:28
Complexity:553
Defined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes