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HM12

CAT: 0013-GTR19273536-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19273536-01Size:10 mg
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Description
HM12 is a covalent inhibitor of L-/T-type calcium channels. This compound effectively suppresses Cav1.2 (L-type) and Cav3.2 (T-type) calcium channels, while showing selectivity for N-type channels. The inhibitory effect produced by HM12 is irreversible and persists even after elution. HM12 is applicable in research related to hypertension, pain, epilepsy, and other conditions.
CAS Number
2376051-91-9
Smiles
O=C (OCCOC (=O) C1=C (NC2=C (C (=O) C (C) (C) CC2) C1C=3C=C (Br) C=C (Br) C3O) C) C (=C) C
Molecular Formula
C25H27Br2NO6
Molecular Weight
597.3
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

2-(2-Methylprop-2-enoyloxy)ethyl 4-(3,5-dibromo-2-hydroxyphenyl)-2,6,6-trimethyl-5-oxo-1,4,7,8-tetrahydroquinoline-3-carboxylate
CAS Number2376051-91-9
PubChem CID178421063
IUPAC Name2-(2-methylprop-2-enoyloxy)ethyl 4-(3,5-dibromo-2-hydroxyphenyl)-2,6,6-trimethyl-5-oxo-1,4,7,8-tetrahydroquinoline-3-carboxylate
Molecular FormulaC25H27Br2NO6
Molecular Weight597.3
XLogP5.2
Topological Polar Surface Area102
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count8
Heavy Atom Count34
Formal Charge0
Complexity953
SMILES
CC1=C(C(C2=C(N1)CCC(C2=O)(C)C)C3=C(C(=CC(=C3)Br)Br)O)C(=O)OCCOC(=O)C(=C)C
InChI
InChI=1S/C25H27Br2NO6/c1-12(2)23(31)33-8-9-34-24(32)18-13(3)28-17-6-7-25(4,5)22(30)20(17)19(18)15-10-14(26)11-16(27)21(15)29/h10-11,19,28-29H,1,6-9H2,2-5H3
InChIKey
OKTMUPRPBYWQJZ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-(2-Methylprop-2-enoyloxy)ethyl 4-(3,5-dibromo-2-hydroxyphenyl)-2,6,6-trimethyl-5-oxo-1,4,7,8-tetrahydroquinoline-3-carboxylate
CAS: 2376051-91-9
CID: 178421063
Formula: C25H27Br2NO6
MW: 597.3
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight597.3
XLogP35.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count8
Exact Mass597.01846
Monoisotopic Mass595.02051
Topological Polar Surface Area102 Ų
Heavy Atom Count34
Formal Charge0
Complexity953
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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CatalogName
HY-126336HM12

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