Determine the necessary mass, volume, or concentration for preparing a solution.
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Moligand™, ≥99% Moligand™ for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships Normal Check lot-specific COA for exact specifications.
SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
NBI 27914 hydrochloride is a selective CRF-RI (type 1 corticotropin-releasing factor; CR1) inhibitor. CRF-RI belongs to the family of CRF receptors, which are involved in modifying the autonomic, behavioral, and endocrine immune response to stress. Anterior pituitary studies indicate that NBI 27914 inhibits CRF-stimulation of cAMP and ACTH release. We supply the NBI 27914 hydrochloride form.
| Ki Data | CRF-RI: Ki= 1 nM (human); CRF1 receptor: Ki= 1.7 nM; Corticotropin releasing factor receptor: Ki= 2 nM (rat) |
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| Canonical Smiles | CCCN(CC1CC1)C2=NC(=NC(=C2Cl)NC3=C(C=C(C=C3Cl)Cl)Cl)C |
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| IUPAC Name | 5-chloro-4-N-(cyclopropylmethyl)-2-methyl-4-N-propyl-6-N-(2,4,6-trichlorophenyl)pyrimidine-4,6-diamine |
| InChIKey | KNADXBVKFAUMCR-UHFFFAOYSA-N |
| INCHI | 1S/C18H20Cl4N4/c1-3-6-26(9-11-4-5-11)18-15(22)17(23-10(2)24-18)25-16-13(20)7-12(19)8-14(16)21/h7-8,11H,3-6,9H2,1-2H3,(H,23,24,25) |
| Isomeric SMILES | CCCN(CC1CC1)C2=NC(=NC(=C2Cl)NC3=C(C=C(C=C3Cl)Cl)Cl)C |
| WGK Germany | 3 |
| RTECS | UV8139455 |
| Molecular Weight | 434.19 |
| Reaxy-Rn | 7664943 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=7664943&ln= |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →Full quality attributes and acceptance criteria for this grade.
View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organic nitrogen compounds |
| Class | Organonitrogen compounds |
| Subclass | Amines |
| Intermediate Tree Nodes | Tertiary amines - Tertiary alkylarylamines |
| Direct Parent | Dialkylarylamines |
| Alternative Parents | Aniline and substituted anilines Halopyrimidines Chlorobenzenes Aminopyrimidines and derivatives Imidolactams Aryl chlorides Heteroaromatic compounds Secondary amines Azacyclic compounds Organopnictogen compounds Organochlorides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Dialkylarylamine - Aniline or substituted anilines - Aminopyrimidine - Chlorobenzene - Halobenzene - Halopyrimidine - Imidolactam - Benzenoid - Pyrimidine - Aryl halide - Aryl chloride - Monocyclic benzene moiety - Heteroaromatic compound - Organoheterocyclic compound - Secondary amine - Azacycle - Organochloride - Organohalogen compound - Organopnictogen compound - Hydrocarbon derivative - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as dialkylarylamines. These are aliphatic aromatic amines in which the amino group is linked to two aliphatic chains and one aromatic group. |
| External Descriptors | Not available |
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| Solubility | Soluble in ethanol (100 mM), and DMSO (100 mM). |
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| Refractive Index | n20D1.65 (Predicted) |
| Molecular Weight | 434.200 g/mol |
| XLogP3 | 7.100 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 7 |
| Exact Mass | 434.041 Da |
| Monoisotopic Mass | 432.044 Da |
| Topological Polar Surface Area | 41.100 Ų |
| Heavy Atom Count | 26 |
| Formal Charge | 0 |
| Complexity | 441.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| 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 | 1 |
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