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Details

Stereochemistry ACHIRAL
Molecular Formula C16H12Cl2N2O
Molecular Weight 319.185
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of CHLORDIAZEPAM

SMILES

CN1C2=CC=C(Cl)C=C2C(=NCC1=O)C3=CC=C(Cl)C=C3

InChI

InChIKey=PUMYFTJOWAJIKF-UHFFFAOYSA-N
InChI=1S/C16H12Cl2N2O/c1-20-14-7-6-12(18)8-13(14)16(19-9-15(20)21)10-2-4-11(17)5-3-10/h2-8H,9H2,1H3

HIDE SMILES / InChI

Molecular Formula C16H12Cl2N2O
Molecular Weight 319.185
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Description

4'-Chlordiazepam or Ro5-4864 (7-chloro-5- (4-chlorophenyl)-1,3-dihydro-1-methyl-2-H-1,4-benzodiazepine-2)) is a ligand of peripheral-type benzodiazepine receptor (translocator protein or Tspo). It exerts neurosteroidogenic activity. 4'- chlordiazepam is sedative, convulsant and anxiogenic in rodents.

CNS Activity

Originator

Approval Year

Targets

Primary TargetPharmacologyConditionPotency
1.6 nM [Kd]

Conditions

ConditionModalityTargetsHighest PhaseProduct
Primary
Unknown
Primary
Unknown

PubMed

Sample Use Guides

In Vivo Use Guide
mice: 0.00001-10 mg/kg, i.p. rats: 15-20 mg/kg, i.p.
Route of Administration: Intraperitoneal
In Vitro Use Guide
Low concentrations (100 nM) of 4'-Chlordiazepam (Ro5-4864) increased cell growth of BT-20 human, estrogen- (ER) and progesterone- (PR) receptor negative breast cancer cells, higher concentrations (10-100 microM) significantly inhibited cell proliferation.
Substance Class Chemical
Record UNII
2QW0IK1742
Record Status Validated (UNII)
Record Version