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BX 513 hydrochloride - 98%, high purity , CAS No.1216540-18-9

    Grade & Purity:
  • ≥98%
In stock
Item Number
B274898
Grouped product items
SKU Size
Availability
Price Qty
B274898-10mg
10mg
2
$215.90
B274898-50mg
50mg
2
$877.90
B274898-100mg
100mg
2
$1,580.90

Potent and selective CCR1 antagonist

View related series
Virus (1811)

Basic Description

Synonyms BX 513 HCL | 1216540-18-9 | BX 513 hydrochloride | BX-513 | BCP27909 | 1-Piperidinepentanenitrile,4-(4-chlorophenyl)-4-hydroxy-a,a-diphenyl-,hydrochloride | 4-(4-Chlorophenyl)-4-hydroxy-?,?-diphenyl-1-piperidinepentanenitrile hydrochloride | VUF 2274 | 1-
Specifications & Purity ≥98%
Biochemical and Physiological Mechanisms Potent and selective CCR1 antagonist (IC 50 = 8.4 μM). K i values are 0.04 nM (CCR1) and >10 nM (CCR5, CXCR2 and CXCR4). Displays inverse agonist activity for US28, a HCMV-encoded receptor. Able to produce concentration-dependent inhibition of MIP-1α and
Storage Temp Store at -20°C,Desiccated
Shipped In
Ice chest + Ice pads
This product requires cold chain shipping. Ground and other economy services are not available.
Note Wherever possible, you should prepare and use solutions on the same day. However, if you need to make up stock solutions in advance, we recommend that you store the solution as aliquots in tightly sealed vials at -20°C. Generally, these will be useable for up to one month. Before use, and prior to opening the vial we recommend that you allow your product to equilibrate to room temperature for at least 1 hour. Need more advice on solubility, usage and handling? Please visit our frequently asked questions (FAQ) page for more details.
Product Description

Store at +4°C. Store under desiccating conditions. The product can be stored for up to 12 months.

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
Superclass Benzenoids
Class Benzene and substituted derivatives
Subclass Diphenylacetonitriles
Intermediate Tree Nodes Not available
Direct Parent Diphenylacetonitriles
Alternative Parents Diphenylmethanes  Phenylpiperidines  Phenylbutylamines  Chlorobenzenes  Aralkylamines  Aryl chlorides  Tertiary alcohols  Trialkylamines  Nitriles  Azacyclic compounds  Organochlorides  Hydrochlorides  Hydrocarbon derivatives  
Molecular Framework Aromatic heteromonocyclic compounds
Substituents Diphenylacetonitrile - Diphenylmethane - Phenylpiperidine - Phenylbutylamine - Chlorobenzene - Halobenzene - Aralkylamine - Aryl chloride - Aryl halide - Piperidine - Tertiary alcohol - Tertiary aliphatic amine - Tertiary amine - Azacycle - Carbonitrile - Nitrile - Organoheterocyclic compound - Organohalogen compound - Amine - Hydrochloride - Alcohol - Hydrocarbon derivative - Cyanide - Organic oxygen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Aromatic heteromonocyclic compound
Description This compound belongs to the class of organic compounds known as diphenylacetonitriles. These are cyclic aromatic compounds containing a diphenylacetonitrile moiety, which consists of a diphenylmethane linked to and acetonitrile to form 2,2-diphenylacetonitrile.
External Descriptors Not available

Names and Identifiers

Pubchem Sid 504771519
Pubchem Sid Url https://pubchem.ncbi.nlm.nih.gov/substance/504771519
IUPAC Name 5-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-2,2-diphenylpentanenitrile;hydrochloride
INCHI InChI=1S/C28H29ClN2O.ClH/c29-26-14-12-25(13-15-26)28(32)17-20-31(21-18-28)19-7-16-27(22-30,23-8-3-1-4-9-23)24-10-5-2-6-11-24;/h1-6,8-15,32H,7,16-21H2;1H
InChIKey SSZWNUGWOGONQJ-UHFFFAOYSA-N
Smiles C1CN(CCC1(C2=CC=C(C=C2)Cl)O)CCCC(C#N)(C3=CC=CC=C3)C4=CC=CC=C4.Cl
Isomeric SMILES C1CN(CCC1(C2=CC=C(C=C2)Cl)O)CCCC(C#N)(C3=CC=CC=C3)C4=CC=CC=C4.Cl
PubChem CID 56972186
Molecular Weight 481.46

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

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

Find and download the COA for your product by matching the lot number on the packaging.

3 results found

Lot Number Certificate Type Date Item
B2320156 Certificate of Analysis Dec 25, 2023 B274898
B2320126 Certificate of Analysis Dec 25, 2023 B274898
B2320365 Certificate of Analysis Dec 25, 2023 B274898

Chemical and Physical Properties

Solubility Soluble in DMSO to 100 mM and in ethanol to 50 mM
Molecular Weight 481.500 g/mol
XLogP3
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 3
Rotatable Bond Count 7
Exact Mass 480.174 Da
Monoisotopic Mass 480.174 Da
Topological Polar Surface Area 47.300 Ų
Heavy Atom Count 33
Formal Charge 0
Complexity 597.000
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 2

Solution Calculators

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