TRO-40303

Investigational

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C26H47NO2
Molecular Weight	405.6569
Optical Activity	UNSPECIFIED
Defined Stereocenters	7 / 7
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

SMILES

[H][C@@]1(CC[C@@]2([H])[C@]3([H])CC\C(=N/O)[C@](C)(CCCO)[C@@]3([H])CC[C@]12C)[C@H](C)CCCC(C)C

InChI

InChIKey=OBKBVSFXEIFOMS-YVABUZGXSA-N

InChI=1S/C26H47NO2/c1-18(2)8-6-9-19(3)21-11-12-22-20-10-13-24(27-29)26(5,15-7-17-28)23(20)14-16-25(21,22)4/h18-23,28-29H,6-17H2,1-5H3/b27-24+/t19-,20+,21-,22+,23+,25-,26-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C26H47NO2
Molecular Weight	405.6569
Charge	0
Count	MOL RATIO 1 MOL RATIO (average)

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	7 / 7
E/Z Centers	1
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical
Record UNII	3W389841RN
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

TRO-40303

Code

English

7H-BENZ(E)INDEN-7-ONE, 3-((1R)-1,5-DIMETHYLHEXYL)DODECAHYDRO-6-(3-HYDROXYPROPYL)-3A,6-DIMETHYL-, OXIME, (3R,3AR,5AS,6R,9AS,9BS)-

Systematic Name

English

TRO40303

Code

English

TRO 40303

Code

English

(3R,3AR,5AS,6R,9AS,9BS)-3-((1R)-1,5-DIMETHYLHEXYL)-6-(3-HYDROXYPROPYL)-3A,6-DIMETHYL-1,2,3,4,5,5A,8,9,9A,9B-DECAHYDROCYCLOPENTA(A)NAPHTHALEN-7-ONE OXIME

Systematic Name

English

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Code System

Code

Type

Description

CAS

949080-24-4

NON-SPECIFIC STEREOCHEMISTRY

FDA UNII

3W389841RN

PRIMARY

SMS_ID

300000041473

PRIMARY

CAS

14291-24-8

PRIMARY

PUBCHEM

117902620

PRIMARY

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Related Record

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Details


					3W389841RN

TRO-40303

ACTIVE MOIETY

Comments:

Target: Peripheral-type benzodiazepine receptor


					3W389841RN

TRO-40303

ACTIVE MOIETY

Comments:

A first set of in vitro studies showed that TRO40303 (from 0.3 to 3 .MU.mol/L) protected HepG2 cells and primary mouse embryonic hepatocytes (PMEH) from palmitate intoxication, a model mimicking steatohepatitis. Further studies were then preformed in a mouse model of Fas-induced fulminant hepatitis induced by injecting Jo2 anti-Fas antibody. When mice received a sublethal dose of Jo2 at 125 .MU.g/kg, TRO40303 pretreatment prevented liver enzyme elevation in plasma in parallel with a decrease in cytochrome C release from mitochondria and caspase 3 and 7 activation in hepatic tissue. When higher, lethal doses of Jo2 were administered, TRO40303 (10 and 30 mg/kg) significantly reduced mortality by 6590% when administered intraperitoneally (i.p.) 1 h before Jo2 injection, a time when TRO40303 plasma concentrations reached their peak. TRO40303 (30 mg/kg, i.p.) was also able to reduce mortality by 3050% when administered 1 h postlethal Jo2 intoxication. These results suggest that TRO40303 could be a promising new therapy for the treatment or prevention of hepatitis.

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