Products for Research Use Only

INU-101

CAT: 0013-GTR19209702-03Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19209702-03Size:100 mg
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Description
INU-101 is a selective 11β-HSD1 inhibitor shown to improve insulin sensitivity and reduce fasting blood glucose in rodent models of diabetes. This makes it a valuable research tool for investigating type 2 diabetes and metabolic syndrome in both in vivo and in vitro studies.
CAS Number
1513828-41-5
Smiles
C (N) (=O) C12C[C@@]3 ([C@@H] (NC (C (NS (=O) (=O) C4=C (F) C=CC=C4) (C) C) =O) [C@] (C1) (CC (C2) C3) [H]) [H]
Molecular Formula
C21H28FN3O4S
Molecular Weight
437.53
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

(1S,3R,4s,5S,7s)-4-(2-((2-fluorophenyl)sulfonamido)-2-methylpropanamido)adamantane-1-carboxamide
CAS Number1513828-41-5
PubChem CID134817250
IUPAC Name(3R,5S)-4-[[2-[(2-fluorophenyl)sulfonylamino]-2-methylpropanoyl]amino]adamantane-1-carboxamide
Molecular FormulaC21H28FN3O4S
Molecular Weight437.5
XLogP1.6
Topological Polar Surface Area127
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count6
Heavy Atom Count30
Formal Charge0
Complexity809
SMILES
CC(C)(C(=O)NC1[C@@H]2CC3C[C@H]1CC(C2)(C3)C(=O)N)NS(=O)(=O)C4=CC=CC=C4F
InChI
InChI=1S/C21H28FN3O4S/c1-20(2,25-30(28,29)16-6-4-3-5-15(16)22)19(27)24-17-13-7-12-8-14(17)11-21(9-12,10-13)18(23)26/h3-6,12-14,17,25H,7-11H2,1-2H3,(H2,23,26)(H,24,27)/t12?,13-,14+,17?,21?
InChIKey
UBAPBKDXKUTATP-XFVFRGDESA-N
Chemical Structure
2D Structure
2D structure of (1S,3R,4s,5S,7s)-4-(2-((2-fluorophenyl)sulfonamido)-2-methylpropanamido)adamantane-1-carboxamide
CAS: 1513828-41-5
CID: 134817250
Formula: C21H28FN3O4S
MW: 437.5
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight437.5
XLogP31.6
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count6
Exact Mass437.17845572
Monoisotopic Mass437.17845572
Topological Polar Surface Area127 Ų
Heavy Atom Count30
Formal Charge0
Complexity809
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