TMC-558445

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C30H37N5O5S
Molecular Weight	579.71
Optical Activity	UNSPECIFIED
Defined Stereocenters	2 / 2
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CCN(C)C1=NC2=CC=C(C=C2O1)C(=O)N(CC(C)C)C[C@@H](O)[C@H](CC3=CC=CC=C3)NC(=O)OCC4=CN=CS4

InChI

InChIKey=RGTBBKSFLZZHLT-IZZNHLLZSA-N

InChI=1S/C30H37N5O5S/c1-5-34(4)29-32-24-12-11-22(14-27(24)40-29)28(37)35(16-20(2)3)17-26(36)25(13-21-9-7-6-8-10-21)33-30(38)39-18-23-15-31-19-41-23/h6-12,14-15,19-20,25-26,36H,5,13,16-18H2,1-4H3,(H,33,38)/t25-,26+/m0/s1

HIDE SMILES / InChI

Molecular Formula	C30H37N5O5S
Molecular Weight	579.71
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	2 / 2
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 11:37:34 UTC 2023` Edited by `admin` on `Sat Dec 16 11:37:34 UTC 2023`
Record UNII	QJ6KY7R5SS
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

TMC-558445

Common Name

English

(1,3-THIAZOL-5-YL)METHYL N-((2S,3R)-4-(1-(2-(ETHYL(METHYL)AMINO)-1,3-BENZOXAZOL-6-YL)-N-(2-METHYLPROPYL)FORMAMIDO)-3-HYDROXY-1-PHENYLBUTAN-2-YL)CARBAMATE

Systematic Name

English

CARBAMIC ACID, N-((1S,2R)-3-(((2-(ETHYLMETHYLAMINO)-6-BENZOXAZOLYL)CARBONYL)(2-METHYLPROPYL)AMINO)-2-HYDROXY-1-(PHENYLMETHYL)PROPYL)-, 5-THIAZOLYLMETHYL ESTER

Systematic Name

English

THIAZOL-5-YLMETHYL N-((1S,2R)-1-BENZYL-3-((2-(ETHYL(METHYL)AMINO)-1,3-BENZOXAZOLE-6-CARBONYL)-ISOBUTYL-AMINO)-2-HYDROXY-PROPYL)CARBAMATE

Systematic Name

English

Code System Code Type Description

PUBCHEM

42609861

Created by admin on Sat Dec 16 11:37:35 UTC 2023 , Edited by admin on Sat Dec 16 11:37:35 UTC 2023

PRIMARY

FDA UNII

QJ6KY7R5SS

Created by admin on Sat Dec 16 11:37:35 UTC 2023 , Edited by admin on Sat Dec 16 11:37:35 UTC 2023

PRIMARY

CAS

1160489-55-3

Created by admin on Sat Dec 16 11:37:35 UTC 2023 , Edited by admin on Sat Dec 16 11:37:35 UTC 2023

PRIMARY

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CYTOCHROME P450 3A4

TARGET -> INHIBITOR

Comments:

PHARMAKINETIC ENHANCER

Amount:

Related Record Type Details


					QJ6KY7R5SS

TMC-558445

ACTIVE MOIETY

Comments:

TMC-558445 manufactured by Tibotec pharmaceuticals is currently being tested in a phase-I study. Results are not available yet. At CROI in February 2009, new pharmacoenhancers were introduced for the first time that could challenge ritonavirs booster monopoly. The advantages of these new agents inhibiting the CYP3A system is that they have no antiviral effect and thus cannot cause resistance. Obviously, there are no reports yet about long-term side effects and the effects of such a total inhibition of enzyme systems.