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ATR-101

CAT: 0013-GTR19154670-02Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19154670-02Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
ATR-101
CAS Number
133825-80-6
Product Name Alternative
ATR 101, ATR101, PD-132301
Field of Research
Epigenetics & Chromatin
Purity
> 98%
Form
Lyophilized
Smiles
CC (C) C1=C (C (=CC=C1) C (C) C) NC (=O) NCC2 (CCCC2) C3=CC=C (C=C3) CN (C) C
Molecular Formula
C28H41N3O
Molecular Weight
435.64
Storage Conditions
Store lyophilized at -20oC, keep desiccated. In lyophilized form, the chemical is stable for 36 months. In solution, store at -20oC and use within 3 months to prevent loss of potency. Aliquot to avoid multiple freeze/thaw cycles.
Notes
For research use only.

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

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