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N0287

Sigma-Aldrich

NNC 55-0396 hydrate

≥98% (HPLC)

Synonym(s):

(1S,2S)-2-(2-(N-[(3-Benzimidazol-2-yl)propyl]-N-methylamino)ethyl)-6-fluoro-1,2,3,4-tetrahydro-1-isopropyl-2-naphtyl cyclopropanecarboxylate dihydrochloride hydrate, NNC55-0396

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About This Item

Empirical Formula (Hill Notation):
C30H40Cl2FN3O2 · xH2O
Molecular Weight:
564.56 (anhydrous basis)
MDL number:
MFCD12910446
UNSPSC Code:
12352200
PubChem Substance ID:
24278523
NACRES:
NA.77

Assay

≥98% (HPLC)

form

solid

storage condition

desiccated

color

white

solubility

H2O: >10 mg/mL

originator

Roche

storage temp.

2-8°C

SMILES string

O.Cl.Cl.CC(C)[C@H]1c2ccc(F)cc2CC[C@@]1(CCN(C)CCCc3nc4ccccc4[nH]3)OC(=O)C5CC5

InChI

1S/C30H38FN3O2.2ClH.H2O/c1-20(2)28-24-13-12-23(31)19-22(24)14-15-30(28,36-29(35)21-10-11-21)16-18-34(3)17-6-9-27-32-25-7-4-5-8-26(25)33-27;;;/h4-5,7-8,12-13,19-21,28H,6,9-11,14-18H2,1-3H3,(H,32,33);2*1H;1H2/t28-,30-;;;/m0.../s1

InChI key

ICVIUVXDXJUZRQ-SHQDEPIZSA-N

Biochem/physiol Actions

NNC-55-0396 is a T-type calcium channel antagonists. It is the structural analog of mibefradil. NNC-55-0396 has the ability to block cell proliferation and stimulate cell apoptosis in leukemia cell lines.
Selective T-type calcium channel inhibitor

Features and Benefits

This compound was developed by Roche. To browse the list of other pharma-developed compounds and Approved Drugs/Drug Candidates, click here.

Storage Class Code

11 - Combustible Solids

WGK

WGK 3

Flash Point(F)

Not applicable

Flash Point(C)

Not applicable

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Certificates of Analysis (COA)

Search for Certificates of Analysis (COA) by entering the products Lot/Batch Number. Lot and Batch Numbers can be found on a product’s label following the words ‘Lot’ or ‘Batch’.

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