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Nevanimibe

CAT: 0572-TRC-N391285-2.5GSize: 2.5 gDry Ice: NoHazardous: No
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CAT#:0572-TRC-N391285-2.5GSize:2.5 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
133825-80-6
Synonyms
Nevanimibe
Hazard Statement
No Data Available
Smiles
CC(C)c1cccc(C(C)C)c1NC(=O)NCC2(CCCC2)c3ccc(cc3)N(C)C
Molecular Formula
C27 H39 N3 O
Molecular Weight
421.618
InChI
InChI=1S/C27H39N3O/c1-19(2)23-10-9-11-24(20(3)4)25(23)29-26(31)28-18-27(16-7-8-17-27)21-12-14-22(15-13-21)30(5)6/h9-15,19-20H,7-8,16-18H2,1-6H3,(H2,28,29,31)
Additionnal Information
IUPAC name: 1-[[1-[4-(dimethylamino)phenyl]cyclopentyl]methyl]-3-[2,6-di(propan-2-yl)phenyl]urea
Shipping Conditions
Room Temperature

Chemical Information

Nevanimibe

Nevanimibe is under investigation in clinical trial NCT03053271 (A Study of ATR-101 for the Treatment of Endogenous Cushing's Syndrome).

CAS Number133825-80-6
PubChem CID131679
IUPAC Name1-[[1-[4-(dimethylamino)phenyl]cyclopentyl]methyl]-3-[2,6-di(propan-2-yl)phenyl]urea
Molecular FormulaC27H39N3O
Molecular Weight421.6
XLogP6.6
Topological Polar Surface Area44.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count7
Heavy Atom Count31
Formal Charge0
Complexity543
SMILES
CC(C)C1=C(C(=CC=C1)C(C)C)NC(=O)NCC2(CCCC2)C3=CC=C(C=C3)N(C)C
InChI
InChI=1S/C27H39N3O/c1-19(2)23-10-9-11-24(20(3)4)25(23)29-26(31)28-18-27(16-7-8-17-27)21-12-14-22(15-13-21)30(5)6/h9-15,19-20H,7-8,16-18H2,1-6H3,(H2,28,29,31)
InChIKey
PKKNCEXEVUFFFI-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Nevanimibe
CAS: 133825-80-6
CID: 131679
Formula: C27H39N3O
MW: 421.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight421.6
XLogP36.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count7
Exact Mass421.309312876
Monoisotopic Mass421.309312876
Topological Polar Surface Area44.4 Ų
Heavy Atom Count31
Formal Charge0
Complexity543
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
BA3168-50Nevanimibe
HY-160804-01Desmethyl nevanimibe
BUP04038-01Nevanimibe hydrochloride
HY-100399AR-01Nevanimibe hydrochloride (Standard)
A21767-10Nevanimibe hydrochloride 10mg
A21767-25Nevanimibe hydrochloride 25mg
A21767-100Nevanimibe hydrochloride 100mg
A21767-50Nevanimibe hydrochloride 50mg
A21767-5Nevanimibe hydrochloride 5mg
A21767-1Nevanimibe hydrochloride 1mg

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