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C0619

III-31-C

Name: III-31-C
Brand: SIGMA

≥98% (HPLC), solid

Synonym(s):

N-[[[(2R,3S)-3-[[(1,1-dimethylethoxy)carbonyl]amino]-2-hydroxy-4-phenylbutyl](phenylmethyl)amino]carbonyl]-L-leucyl-L-valine methyl ester, WPE-III-31-C

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About This Item

Empirical Formula (Hill Notation):

C₃₅H₅₂N₄O₇

CAS Number:

398515-96-3

Molecular Weight:

640.81

MDL number:

MFCD04974985

UNSPSC Code:

12352200

PubChem Substance ID:

329774807

NACRES:

NA.77

Assay:

≥98% (HPLC)

Form:

solid

Storage condition:

desiccated

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Properties

Quality Segment

100

assay

≥98% (HPLC)

form

solid

storage condition

desiccated

solubility

DMSO: ≥9 mg/mL

storage temp.

−20°C

SMILES string

COC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)N(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)Cc2ccccc2)C(C)C

InChI

1S/C35H52N4O7/c1-23(2)19-28(31(41)38-30(24(3)4)32(42)45-8)36-33(43)39(21-26-17-13-10-14-18-26)22-29(40)27(20-25-15-11-9-12-16-25)37-34(44)46-35(5,6)7/h9-18,23-24,27-30,40H,19-22H2,1-8H3,(H,36,43)(H,37,44)(H,38,41)/t27-,28-,29+,30?/m0/s1

InChI key

DINAVFJXFRFCRE-BLFWRVEASA-N

Description

Biochem/physiol Actions

III-31-C is a (hydroxyethyl)urea γ-secretase inhibitor that binds to γ-secretase at the substrate docking site. DAPT, also a γ-secretase inhibitor binds to the substrate docking site as well. III-31-C is useful for the affinity isolation and characterization of the protease complex and for testing other ihhibitors that affect the γ-secretase active site. The γ-secretase complex is composed of presenilin as a catalytic component and three integral membrane proteins, nicastrin, Aph-1 and Pen-2.

III-31-C is a (hydroxyethyl)urea γ-secretase inhibitor.

Storage Class

11 - Combustible Solids

wgk

WGK 3

flash_point_f

Not applicable

flash_point_c

Not applicable

ppe

Eyeshields, Gloves, type N95 (US)

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