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DS-1971a

CAT: 1410-M28831-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:1410-M28831-02Size:5 mg
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Description
DS-1971a is a highly potent and selective NaV1.7 inhibitor. DS-1971a exhibits a favorable toxicological profile and analgesic effects.
CAS Number
1450595-86-4
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
465.93
Molecular Formula
C20H21ClFN5O3S
Notes
Research use only, not for human use.
Receptor
AChE

Chemical Information

Ds-1971
CAS Number1450595-86-4
PubChem CID71711862
IUPAC Name5-chloro-2-fluoro-4-[(1S,2R)-2-(2-methylpyrazol-3-yl)cyclohexyl]oxy-N-pyrimidin-4-ylbenzenesulfonamide
Molecular FormulaC20H21ClFN5O3S
Molecular Weight465.9
XLogP3.3
Topological Polar Surface Area107
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count6
Heavy Atom Count31
Formal Charge0
Complexity699
SMILES
CN1C(=CC=N1)[C@H]2CCCC[C@@H]2OC3=CC(=C(C=C3Cl)S(=O)(=O)NC4=NC=NC=C4)F
InChI
InChI=1S/C20H21ClFN5O3S/c1-27-16(6-9-25-27)13-4-2-3-5-17(13)30-18-11-15(22)19(10-14(18)21)31(28,29)26-20-7-8-23-12-24-20/h6-13,17H,2-5H2,1H3,(H,23,24,26)/t13-,17+/m1/s1
InChIKey
OJKONCJPCULNOW-DYVFJYSZSA-N
Chemical Structure
2D Structure
2D structure of Ds-1971
CAS: 1450595-86-4
CID: 71711862
Formula: C20H21ClFN5O3S
MW: 465.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight465.9
XLogP33.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count6
Exact Mass465.1037666
Monoisotopic Mass465.1037666
Topological Polar Surface Area107 Ų
Heavy Atom Count31
Formal Charge0
Complexity699
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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