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NBI 35965 hydrochloride

CAT: 0013-GTR19234926-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19234926-01Size:25 mg
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Description
NBI 35965 hydrochloride is a potent, brain-penetrant, and orally active CRF1 receptor antagonist (K i = 4 nM) that selectively inhibits CRF-induced ACTH release in vivo and demonstrates anxiolytic activity. It is a valuable research tool for investigating stress-related disorders, including anxiety and depression, in both in vitro binding assays and in vivo behavioral models.
CAS Number
1782228-59-4
Field of Research
Pharmacology & Drug Discovery
Smiles
C (N1C2=C3C (C (=NN3C[C@@H]1CC) C4=C (Cl) C=C (Cl) C=C4) =NC (C) =C2) C5CC5.Cl
Molecular Formula
C21H23Cl3N4
Molecular Weight
437.79
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

NBI 35965 hydrochloride
CAS Number1782228-59-4
PubChem CID71433630
IUPAC Name(10S)-9-(cyclopropylmethyl)-3-(2,4-dichlorophenyl)-10-ethyl-6-methyl-1,2,5,9-tetrazatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraene;hydrochloride
Molecular FormulaC21H23Cl3N4
Molecular Weight437.8
Topological Polar Surface Area34
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Heavy Atom Count28
Formal Charge0
Complexity544
SMILES
CC[C@H]1CN2C3=C(N1CC4CC4)C=C(N=C3C(=N2)C5=C(C=C(C=C5)Cl)Cl)C.Cl
InChI
InChI=1S/C21H22Cl2N4.ClH/c1-3-15-11-27-21-18(26(15)10-13-4-5-13)8-12(2)24-20(21)19(25-27)16-7-6-14(22)9-17(16)23;/h6-9,13,15H,3-5,10-11H2,1-2H3;1H/t15-;/m0./s1
InChIKey
LNYUWBPFYXPUIO-RSAXXLAASA-N
Chemical Structure
2D Structure
2D structure of NBI 35965 hydrochloride
CAS: 1782228-59-4
CID: 71433630
Formula: C21H23Cl3N4
MW: 437.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight437.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Exact Mass436.098830
Monoisotopic Mass436.098830
Topological Polar Surface Area34 Ų
Heavy Atom Count28
Formal Charge0
Complexity544
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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