E-7974

Investigational

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C24H43N3O4
Molecular Weight	437.6159
Optical Activity	UNSPECIFIED
Defined Stereocenters	3 / 3
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

SMILES

CC(C)[C@@H](\C=C(/C)C(O)=O)N(C)C(=O)[C@@H](NC(=O)[C@H]1CCCCN1C(C)C)C(C)(C)C

InChI

InChIKey=FWYMMXUDTATKLG-PGLMLKKXSA-N

InChI=1S/C24H43N3O4/c1-15(2)19(14-17(5)23(30)31)26(9)22(29)20(24(6,7)8)25-21(28)18-12-10-11-13-27(18)16(3)4/h14-16,18-20H,10-13H2,1-9H3,(H,25,28)(H,30,31)/b17-14+/t18-,19-,20-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C24H43N3O4
Molecular Weight	437.6159
Charge	0
Count	MOL RATIO 1 MOL RATIO (average)

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	3 / 3
E/Z Centers	1
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical
Record UNII	1BO0C11BSH
Record Status	`Validated (UNII)`
Record Version

Show entries

Name

Type

Language

E 7974

Preferred Name

English

E-7974

Code

English

(E,4S)-4-(((2S)-2-(((2R)-1-ISOPROPYLPIPERIDINE-2-CARBONYL)AMINO)-3,3-DIMETHYL-BUTANOYL)-METHYL-AMINO)-2,5-DIMETHYL-HEX-2-ENOIC ACID

Systematic Name

English

2-HEXENOIC ACID, 4-(((2S)-3,3-DIMETHYL-2-((((2R)-1-(1-METHYLETHYL)-2-PIPERIDINYL)CARBONYL)AMINO)-1-OXOBUTYL)METHYLAMINO)-2,5-DIMETHYL-, (2E,4S)-

Systematic Name

English

E7974

Code

English

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Code System

Code

Type

Description

PUBCHEM

10127315

PRIMARY

CAS

610787-07-0

PRIMARY

EPA CompTox

DTXSID101026331

PRIMARY

NCI_THESAURUS

C49083

PRIMARY

FDA UNII

1BO0C11BSH

PRIMARY

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Related Record

Type

Details


					1BO0C11BSH

E-7974

ACTIVE MOIETY

Comments:

The invention relates to unsolvated and host-guest solvated crystalline forms of (2E,4S)-4-((N-(((2R)-l-isopropylpiperidin-2-yl)- carbonyl)-3-methyl -L-valyl) (methyl)amino)-2,5-dimethylhex-2-enoic acid, E7974, and their therapeutic uses. Pharmaceutical compositions containing crystalline forms of E7974 and a pharmaceuticall acceptable carrier represent one embodiment of the invention. The invention also relates t methods for treating cancer, an inflammatory disorder, an autoimmune disorder, or a proliferative disorder as well as restenosis of blood vessels comprising the step of administering to a patient in need thereof a therapeutically effective amount of crystalline E7974.

Amount:


					1BO0C11BSH

E-7974

ACTIVE MOIETY

Comments:

Hemiasterlin analogue E7974: An analogue of the sponge-derived anti-microtubule tripeptide hemiasterlin with antimitotic and potential antineoplastic activities. Hemiasterlin analogue E7974 binds to the Vinca domain on tubulin, resulting in inhibition of tubulin polymerization and microtubule assembly; depolymerization of exsiting microtubules; inhibition of mitosis; and inhibition of cellular proliferation. This agent may have more affinity for the beta-3 tubulin isotype. Check for active clinical trials using this agent. (NCI Thesaurus)

Amount:

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