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ATC0065

CAT: 0013-GTR19198203-03Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19198203-03Size:100 mg
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Description
ATC0065 is a potent and orally bioavailable antagonist of the melanin-concentrating hormone receptor 1 (MCHR1) . This small molecule is a valuable research tool for investigating the role of MCHR1 in energy homeostasis, feeding behavior, and mood regulation in both in vitro and in vivo models.
CAS Number
509145-82-8
Field of Research
Metabolism Research, Neuroscience, Pharmacology & Drug Discovery
Smiles
N (C) (C) C=1C2=C (N=C (N[C@H]3CC[C@@H] (NCCC4=C (OC (F) (F) F) C=C (Br) C=C4) CC3) N1) C=CC=C2
Molecular Formula
C25H29BrF3N5O
Molecular Weight
552.43
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

ATC-0065 free base
CAS Number509145-82-8
PubChem CID11238212
IUPAC Name2-N-[4-[2-[4-bromo-2-(trifluoromethoxy)phenyl]ethylamino]cyclohexyl]-4-N,4-N-dimethylquinazoline-2,4-diamine
Molecular FormulaC25H29BrF3N5O
Molecular Weight552.4
XLogP7
Topological Polar Surface Area62.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count9
Rotatable Bond Count8
Heavy Atom Count35
Formal Charge0
Complexity649
SMILES
CN(C)C1=NC(=NC2=CC=CC=C21)NC3CCC(CC3)NCCC4=C(C=C(C=C4)Br)OC(F)(F)F
InChI
InChI=1S/C25H29BrF3N5O/c1-34(2)23-20-5-3-4-6-21(20)32-24(33-23)31-19-11-9-18(10-12-19)30-14-13-16-7-8-17(26)15-22(16)35-25(27,28)29/h3-8,15,18-19,30H,9-14H2,1-2H3,(H,31,32,33)
InChIKey
FWKVXHBRMCTKHZ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of ATC-0065 free base
CAS: 509145-82-8
CID: 11238212
Formula: C25H29BrF3N5O
MW: 552.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight552.4
XLogP37
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count9
Rotatable Bond Count8
Exact Mass551.15076
Monoisotopic Mass551.15076
Topological Polar Surface Area62.3 Ų
Heavy Atom Count35
Formal Charge0
Complexity649
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
BA5077-5ATC0065
563773ATC0065 HCl
HY-107626AATC0065 (free base)

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