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SREBP/SCAP-IN-1

CAT: 0013-GTR19219340-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19219340-01Size:5 mg
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Description
SREBP/SCAP-IN-1 (compound 10b) is a selective small molecule inhibitor of the SREBP/SCAP complex. It is a valuable research tool for investigating lipid metabolism and has been utilized in both in vitro and in vivo studies exploring pathways related to fatty acid and cholesterol biosynthesis.
CAS Number
2763493-89-4
Field of Research
Metabolism Research
Smiles
C[C@@]12[C@] (\C (=C\CN3C (=NN=N3) C4=CC (C) =CC=C4) \CCC1) (CC[C@@]2 ([C@@H] (CCC (C (C) (C) O) (F) F) C) [H]) [H]
Molecular Formula
C28H40F2N4O
Molecular Weight
486.64
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Srebp/scap-IN-1
CAS Number2763493-89-4
PubChem CID163633386
IUPAC Name(6R)-6-[(1R,3aS,4E,7aR)-7a-methyl-4-[2-[5-(3-methylphenyl)tetrazol-1-yl]ethylidene]-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]-3,3-difluoro-2-methylheptan-2-ol
Molecular FormulaC28H40F2N4O
Molecular Weight486.6
XLogP6.9
Topological Polar Surface Area63.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count8
Heavy Atom Count35
Formal Charge0
Complexity759
SMILES
CC1=CC(=CC=C1)C2=NN=NN2C/C=C/3\CCC[C@]4([C@H]3CC[C@@H]4[C@H](C)CCC(C(C)(C)O)(F)F)C
InChI
InChI=1S/C28H40F2N4O/c1-19-8-6-9-22(18-19)25-31-32-33-34(25)17-14-21-10-7-15-27(5)23(11-12-24(21)27)20(2)13-16-28(29,30)26(3,4)35/h6,8-9,14,18,20,23-24,35H,7,10-13,15-17H2,1-5H3/b21-14+/t20-,23-,24+,27-/m1/s1
InChIKey
MRFAHOTXHDGRBA-FSCJZJTNSA-N
Chemical Structure
2D Structure
2D structure of Srebp/scap-IN-1
CAS: 2763493-89-4
CID: 163633386
Formula: C28H40F2N4O
MW: 486.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight486.6
XLogP36.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count8
Exact Mass486.31701824
Monoisotopic Mass486.31701824
Topological Polar Surface Area63.8 Ų
Heavy Atom Count35
Formal Charge0
Complexity759
Isotope Atom Count0
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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