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Calcium channel-modulator-1

CAT: 0804-HY-U00135-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-U00135-01Size:5 mg
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Description
Calcium channel-modulator-1 is an orally active calcium channel modulator that blocks aortic contraction with an IC50 of 0.8 μM. Calcium channel-modulator-1 can be used for the study of cardiovascular conditions[1].
CAS Number
136941-70-3
UNSPSC
12352005
Target
Calcium Channel
Type
Reference compound
Related Pathways
Membrane Transporter/Ion Channel; Neuronal Signaling
Applications
Neuroscience-Neuromodulation
Field of Research
Cardiovascular Disease
Assay Protocol
https://www.medchemexpress.com/3,5-Pyridinedicarboxylic_acid,_4-_2,3-dichlorophenyl_-1,4-dihydro-2,6-dimethyl-,_methyl_3-_3-oxo-1,2-benzisothiazol-2_3H_-yl_propyl_ester,_S,S-dioxide.html
Concentration
10mM
Purity
98.77
Solubility
DMSO : 12.5 mg/mL (ultrasonic; warming; heat to 60°C)
Smiles
O=C(C1=C(C)NC(C)=C(C(OC)=O)C1C2=CC=CC(Cl)=C2Cl)OCCCN(C(C3=C4C=CC=C3)=O)S4(=O)=O
Molecular Formula
C26H24Cl2N2O7S
Molecular Weight
579.45
References & Citations
[1]Sunkel CE, et al. Synthesis of 3-[ (2,3-dihydro-1,1,3-trioxo-1,2-benzisothiazol-2-yl) alkyl] 1,4-dihydropyridine-3,5-dicarboxylate derivatives as calcium channel modulators. J Med Chem. 1992 Jun 26;35 (13) :2407-14.
Shipping Conditions
Blue Ice
Storage Conditions
-20°C, 3 years (Powder)
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

Calcium channel-modulator-1
CAS Number136941-70-3
PubChem CID9851210
IUPAC Name3-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
Molecular FormulaC26H24Cl2N2O7S
Molecular Weight579.4
XLogP4.5
Topological Polar Surface Area127
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count9
Heavy Atom Count38
Formal Charge0
Complexity1150
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
InChI
InChI=1S/C26H24Cl2N2O7S/c1-14-20(25(32)36-3)22(17-9-6-10-18(27)23(17)28)21(15(2)29-14)26(33)37-13-7-12-30-24(31)16-8-4-5-11-19(16)38(30,34)35/h4-6,8-11,22,29H,7,12-13H2,1-3H3
InChIKey
LNYDIZPHIUSZBB-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Calcium channel-modulator-1
CAS: 136941-70-3
CID: 9851210
Formula: C26H24Cl2N2O7S
MW: 579.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight579.4
XLogP34.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count9
Exact Mass578.0681277
Monoisotopic Mass578.0681277
Topological Polar Surface Area127 Ų
Heavy Atom Count38
Formal Charge0
Complexity1150
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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Alternative Products

CatalogName
T10101-01Calcium channel-modulator-1
487803ORAI1 (Calcium Release-Activated Calcium Channel Protein 1, ORAI Calcium Release-Activated Calcium Modulator 1)
326937ORAI calcium release-activated calcium modulator 1
MBS395798-01Calcium Homeostasis Modulator Protein 1
308785-01Calcium homeostasis modulator Protein 1 (CALHM1)
APG02333GPolyclonal Calcium Homeostasis Modulator 1 Antibody
477007CALHM3 (Calcium Homeostasis Modulator Protein 3, Calcium Homeostasis Modulator 3)
MBS619446-01ORAI1 (ORAI Calcium Release-Activated Calcium Modulator 1, CRACM1, FLJ14466, ORAT1, TMEM142A, calcium release-activated calcium channel protein 1, Transmembrane protein 142A)
AP82699Calcium release-activated calcium channel protein 1
abx320367-01Calcium Homeostasis Modulator Protein 1 (CALHM1) Antibody

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