CH-1504 L-ISOMER

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C23H23N5O5
Molecular Weight	449.4592
Optical Activity	UNSPECIFIED
Defined Stereocenters	1 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

NC1=NC(N)=C2C=C(CCC3=CC=C(C=C3)C(=O)N[C@@H](CC(=C)C(O)=O)C(O)=O)C=CC2=N1

InChI

InChIKey=NAWXUBYGYWOOIX-SFHVURJKSA-N

InChI=1S/C23H23N5O5/c1-12(21(30)31)10-18(22(32)33)26-20(29)15-7-4-13(5-8-15)2-3-14-6-9-17-16(11-14)19(24)28-23(25)27-17/h4-9,11,18H,1-3,10H2,(H,26,29)(H,30,31)(H,32,33)(H4,24,25,27,28)/t18-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C23H23N5O5
Molecular Weight	449.4592
Charge	0
Count

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

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 17:43:53 UTC 2023` Edited by `admin` on `Sat Dec 16 17:43:53 UTC 2023`
Record UNII	86T288K8BS
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

CH-1504 L-ISOMER

Common Name

English

L-MOBILETREX

Common Name

English

L-M-TREX

Common Name

English

L-GLUTAMIC ACID, N-(4-(2-(2,4-DIAMINO-6-QUINAZOLINYL)ETHYL)BENZOYL)-4-METHYLENE-

Systematic Name

English

4-METHYLENE-N-(4-(2-(2,4-DIAMINOQUINAZOLIN-6-YL)ETHYL)BENZOYL)-L-GLUTAMIC ACID

Systematic Name

English

CH-4051

Code

English

L-CH 1504

Code

English

(2S)-2-((4-(2-(2,4-DIAMINOQUINAZOLIN-6-YL)ETHYL)BENZOYL)AMINO)-4-METHYLENE-PENTANEDIOIC ACID

Systematic Name

English

Code System Code Type Description

PUBCHEM

11532464

Created by admin on Sat Dec 16 17:43:53 UTC 2023 , Edited by admin on Sat Dec 16 17:43:53 UTC 2023

PRIMARY

FDA UNII

86T288K8BS

Created by admin on Sat Dec 16 17:43:53 UTC 2023 , Edited by admin on Sat Dec 16 17:43:53 UTC 2023

PRIMARY

CAS

227016-66-2

Created by admin on Sat Dec 16 17:43:53 UTC 2023 , Edited by admin on Sat Dec 16 17:43:53 UTC 2023

PRIMARY

SMS_ID

300000047882

Created by admin on Sat Dec 16 17:43:53 UTC 2023 , Edited by admin on Sat Dec 16 17:43:53 UTC 2023

PRIMARY

Related Record Type Details


					5T4JAQ7QVD

DIHYDROFOLATE REDUCTASE

TARGET -> INHIBITOR

Amount:

Related Record Type Details


					86T288K8BS

CH-1504 L-ISOMER

ACTIVE MOIETY

Comments:

Alternative Names: CH-4051, L-CH-1504; Originator: University of South Alabama; Developer: Lundbeck A/S; Class: Anti-inflammatory; Mechanism of Action: Tetrahydrofolate dehydrogenase inhibitor; Highest Development Phases: Suspended for Autoimmune disorders, Rheumatoid arthritis; Most Recent Events: 24 Jun 2014 Chelsea Therapeutics has been acquired and merged into Lundbeck A/S, 31 May 2012 Suspended - Phase-I for Autoimmune disorders (in volunteers) in Netherlands (PO), 31 May 2012 Suspended - Phase-II for Rheumatoid arthritis (treatment-resistant) in Czech Republic (PO)