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Chemical structure of Calcium channel-modulator-1

GC32616

Calcium channel-modulator-1

Also known as 3-O-methyl 5-O-[3-(1,1,3-trioxo-1,2-benzothiazol-2-yl)propyl] 4-(2,3-dichlorophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate

Calcium channel-modulator-1 is a calcium channel modulator; blocks aortic contraction with an IC50 of 0·8 μM

ChemicalCAS136941-70-3MW579.45FormulaC26H24Cl2N2O7S
CAS number
136941-70-3
Molecular weight
579.45
Formula
C26H24Cl2N2O7S
Solubility
DMSO ： 12·5 mg/mL (21·57 mM; ultrasonic and warming and heat to 60°C)
InChIKey
LNYDIZPHIUSZBB-UHFFFAOYSA-N
Catalogue number
GC32616
Brand
GLPBIO
Computed properties PubChem CID 9851210 · XLogP 4.5 · TPSA 127 Ų · H-bond donors 1
XLogP
4.5
TPSA
127 Ų
H-bond donors
1
H-bond acceptors
8
Rotatable bonds
9
Heavy atoms
38

SMILES CC1=C(C(C(=C(N1)C)C(=O)OCCCN2C(=O)C3=CC=CC=C3S2(=O)=O)C4=C(C(=CC=C4)Cl)Cl)C(=O)OC

Computed descriptors from PubChem (CID 9851210), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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