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HM12

CAT: 0804-HY-126336Size: 1 EachDry Ice: NoHazardous: No
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CAT#:0804-HY-126336Size:1 Each
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Description
HM12 is a covalent inhibitor of L-/T-type calcium channels. HM12 can strongly inhibit the Cav1.2 (L-type) and Cav3.2 (T-type) calcium channels, and has selectivity for the N-type channels. HM12 produces an irreversible inhibition that persisted after washout. HM12 can be used to study diseases such as hypertension, pain, epilepsy, etc[1].
CAS Number
2376051-91-9
UNSPSC
12352005
Target
Calcium Channel
Related Pathways
Membrane Transporter/Ion Channel; Neuronal Signaling
Applications
Neuroscience-Neuromodulation
Field of Research
Neurological Disease; Cardiovascular Disease
Smiles
O=C(C1=C(C)NC2=C(C(C(C)(C)CC2)=O)C1C3=CC(Br)=CC(Br)=C3O)OCCOC(C(C)=C)=O
Molecular Formula
C25H27Br2NO6
Molecular Weight
597.29
References & Citations
[1]Aygün Cevher H, et al. Discovery of Michael acceptor containing 1,4-dihydropyridines as first covalent inhibitors of L-/T-type calcium channels. Bioorg Chem. 2019 Oct;91:103187.
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported
Isoform
L-type calcium channel; T-type calcium channel

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
Loading 3D structure...
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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