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NBI 35965 hydrochloride - ≥98%(HPLC), high purity , CAS No.1782228-59-4

COA

Grade & Purity:

≥98%(HPLC)

Cas Number: 1782228-59-4
Molecular Weight: 437.79
PubChem CID: 71433630

In stock

Item Number

N288172

Grouped product items
SKU	Size	Availability	Price	Qty
N288172-10mg	10mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$224.90
N288172-50mg	50mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$940.90

Potent and selective CRF1antagonist

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Class B GPCR (170)

Basic Description

Synonyms	1782228-59-4 \| DTXSID10849508 \| (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 \| AKOS024457428 \| NBI 35965 hydrochloride \| (7S)-6-(Cyclopropylmethyl)-2-(2,
Specifications & Purity	≥98%(HPLC)
Biochemical and Physiological Mechanisms	Potent and selective corticotropin-releasing factor receptor 1 (CRF1) antagonist (Kivalues are 4 and > 10000 nM at CRF1and CRF2respectively). Inhibits cAMP accumulation and adrenocorticotropic hormone (ACTH) productionin vitro(pIC50values are 7.1 and 6.9
Storage Temp	Room temperature,Desiccated
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Azoles
    - Subclass Pyrazoles

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Azoles
Subclass	Pyrazoles
Intermediate Tree Nodes	Not available
Direct Parent	Phenylpyrazoles
Alternative Parents	Pyrazolopyridines Dichlorobenzenes Dialkylarylamines Methylpyridines Aryl chlorides Heteroaromatic compounds Azacyclic compounds Organochlorides Hydrochlorides Hydrocarbon derivatives
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Phenylpyrazole - Pyrazolopyridine - 1,3-dichlorobenzene - Tertiary aliphatic/aromatic amine - Dialkylarylamine - Chlorobenzene - Halobenzene - Methylpyridine - Aryl halide - Monocyclic benzene moiety - Aryl chloride - Benzenoid - Pyridine - Heteroaromatic compound - Tertiary amine - Azacycle - Organonitrogen compound - Organochloride - Organohalogen compound - Amine - Hydrochloride - Organic nitrogen compound - Hydrocarbon derivative - Aromatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as phenylpyrazoles. These are compounds containing a phenylpyrazole skeleton, which consists of a pyrazole bound to a phenyl group.
External Descriptors	Not available
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61. DOI: 10.1186/s13321-016-0174-y

Names and Identifiers

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
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
Smiles	CCC1CN2C3=C(N1CC4CC4)C=C(N=C3C(=N2)C5=C(C=C(C=C5)Cl)Cl)C.Cl
Isomeric SMILES	CC[C@H]1CN2C3=C(N1CC4CC4)C=C(N=C3C(=N2)C5=C(C=C(C=C5)Cl)Cl)C.Cl
PubChem CID	71433630
Molecular Weight	437.79

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Chemical and Physical Properties

Solubility	Solvent:water, Max Conc. mg/mL: 43.78, Max Conc. mM: 100; Solvent:DMSO, Max Conc. mg/mL: 43.78, Max Conc. mM: 100
Molecular Weight	437.800 g/mol
XLogP3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Exact Mass	436.099 Da
Monoisotopic Mass	436.099 Da
Topological Polar Surface Area	34.000 Å²
Heavy Atom Count	28
Formal Charge	0
Complexity	544.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	2

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