MK-0429

Investigational

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C23H29N5O4
Molecular Weight	439.5075
Optical Activity	UNSPECIFIED
Defined Stereocenters	1 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

SMILES

COC1=CC=C(C=N1)[C@H](CC(O)=O)N2CCN(CCCC3=NC4=C(CCCN4)C=C3)C2=O

InChI

InChIKey=HGFOOLONGOBCMP-IBGZPJMESA-N

InChI=1S/C23H29N5O4/c1-32-20-9-7-17(15-25-20)19(14-21(29)30)28-13-12-27(23(28)31)11-3-5-18-8-6-16-4-2-10-24-22(16)26-18/h6-9,15,19H,2-5,10-14H2,1H3,(H,24,26)(H,29,30)/t19-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C23H29N5O4
Molecular Weight	439.5075
Charge	0
Count	MOL RATIO 1 MOL RATIO (average)

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	1 / 1
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

PubMed

PubMed

Title	Date	PubMed
Renal elimination of a novel and potent alphavbeta3 integrin antagonist in animals.	2004 Nov-Dec	15801548

Substance Class	Chemical
Record UNII	1JL033A2D0
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

MK-0429

Common Name

English

MK-429

Code

English

3-PYRIDINEPROPANOIC ACID, 6-METHOXY-.BETA.-(2-OXO-3-(3-(5,6,7,8-TETRAHYDRO-1,8-NAPHTHYRIDIN-2-YL)PROPYL)-1-IMIDAZOLIDINYL)-, (.BETA.S)-

Systematic Name

English

J1.969.455K

Code

English

(3S)-3-(6-METHOXY-3-PYRIDYL)-3-(2-OXO-3-(3-(5,6,7,8-TETRAHYDRO-1,8-NAPHTHYRIDIN-2-YL)PROPYL)IMIDAZOLIDIN-1-YL)PROPANOIC ACID

Systematic Name

English

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Code System

Code

Type

Description

CAS

227963-15-7

PRIMARY

SMS_ID

100000177670

PRIMARY

FDA UNII

1JL033A2D0

PRIMARY

MANUFACTURER PRODUCT INFORMATION

MK-0429

PRIMARY

Description: MK-0429 is a potent and selective inhibitor of the .ALPHA.v.BETA.3 integrin, which showed therapeutic effects on bone turnover disease in men with hormone-refractory prostate cancer (HRPC) and bone metastases. MK-0429 was safe and efficacious in significantly decreasing melanoma metastasis in the lungs. MK-0429 may be useful for the prevention of metastatic melanoma.

PUBCHEM

9853559

PRIMARY

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Related Record

Type

Details


					1INU2W9JZP

INTEGRIN ALPHA-V/BETA-3

TARGET -> INHIBITOR

Qualification:

IC50

Amount:

0.08 NANOMOLAR (average)

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Related Record

Type

Details


					1JL033A2D0

MK-0429

ACTIVE MOIETY

Comments:

The orally administered MK-0429 has completed a Phase I/II study in solid tumors with no reported safety issues [43]. However, no further development has been reported.

Amount:

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