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NNC 55-0396

CAT: 0013-GTR19176552-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19176552-02Size:5 mg
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Description
NNC 55-0396 is a potent and selective T-type calcium channel blocker (IC50 = 6.8 μM) . Its application extends to cancer research, where it has been shown in vitro to inhibit the proliferation of human ovarian cancer cells.
CAS Number
357400-13-6
Product Name Alternative
Calcium Channel, CalciumChannel, NNC 55 0396, NNC 550396, NNC 55-0396, NNC 55-0396 dihydrochloride, T-type calcium channel
Field of Research
Metabolism Research, Pharmacology & Drug Discovery
Purity
97.12% (May vary between batches)
Solubility
10% DMSO+40% PEG300+5% Tween 80+45% Saline:3.3 mg/mL (5.85 mM) ; DMSO:95 mg/mL (168.27 mM)
Smiles
Cl.Cl.CC (C) C1c2ccc (F) cc2CCC1 (CCN (C) CCCc1nc2ccccc2[nH]1) OC (=O) C1CC1
Molecular Formula
C30H40Cl2FN3O2
Molecular Weight
564.56
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Nnc-55-0396

NNC 55-0396 dihydrochloride is the dihydrochloride salt of NNC 55-0396. It is a stable analogue of mibefradil and a highly selective T-type calcium channel blocker. It has a role as a T-type calcium channel blocker, an antineoplastic agent, an angiogenesis inhibitor, a potassium channel blocker, a neuroprotective agent and an apoptosis inducer. It contains a NNC 55-0396 (free base).

CAS Number357400-13-6
PubChem CID22084904
IUPAC Name[(1S,2S)-2-[2-[3-(1H-benzimidazol-2-yl)propyl-methylamino]ethyl]-6-fluoro-1-propan-2-yl-3,4-dihydro-1H-naphthalen-2-yl] cyclopropanecarboxylate;dihydrochloride
Molecular FormulaC30H40Cl2FN3O2
Molecular Weight564.6
Topological Polar Surface Area58.2
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count11
Heavy Atom Count38
Formal Charge0
Complexity746
SMILES
CC(C)[C@H]1C2=C(CC[C@@]1(CCN(C)CCCC3=NC4=CC=CC=C4N3)OC(=O)C5CC5)C=C(C=C2)F.Cl.Cl
InChI
InChI=1S/C30H38FN3O2.2ClH/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/t28-,30-;;/m0../s1
InChIKey
BCCQNBXHUMKLFW-HNQRYHMESA-N
Chemical Structure
2D Structure
2D structure of Nnc-55-0396
CAS: 357400-13-6
CID: 22084904
Formula: C30H40Cl2FN3O2
MW: 564.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight564.6
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count11
Exact Mass563.2481611
Monoisotopic Mass563.2481611
Topological Polar Surface Area58.2 Ų
Heavy Atom Count38
Formal Charge0
Complexity746
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count3
Compound Is CanonicalizedYes

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