JNJ-27141491
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MedKoo CAT#: 527451

CAS#: 871313-59-6

Description: JNJ-27141491 is a potent, noncompetitive human CCR2 antagonist.


Chemical Structure

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JNJ-27141491
CAS# 871313-59-6

Theoretical Analysis

MedKoo Cat#: 527451
Name: JNJ-27141491
CAS#: 871313-59-6
Chemical Formula: C17H15F2N3O3S
Exact Mass: 379.0802
Molecular Weight: 379.3818
Elemental Analysis: C, 53.82; H, 3.99; F, 10.02; N, 11.08; O, 12.65; S, 8.45

Price and Availability

Size Price Availability Quantity
10.0mg USD 440.0 2 Weeks
50.0mg USD 1535.0 2 Weeks
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Synonym: JNJ27141491; JNJ 27141491; JNJ-27141491

IUPAC/Chemical Name: 3-[(1S)-1-(3,4-Difluorophenyl)propyl]-2,3-dihydro-5-(5-isoxazolyl)-2-thioxo-1H-imidazole-4-carboxylic acid methyl ester

InChi Key: SYARXICKXVXWNA-LBPRGKRZSA-N

InChi Code: InChI=1S/C17H15F2N3O3S/c1-3-12(9-4-5-10(18)11(19)8-9)22-15(16(23)24-2)14(21-17(22)26)13-6-7-20-25-13/h4-8,12H,3H2,1-2H3,(H,21,26)/t12-/m0/s1

SMILES Code: O=C(C1=C(C2=CC=NO2)NC(N1[C@H](C3=CC=C(F)C(F)=C3)CC)=S)OC

Appearance: Solid powder

Purity: >98% (or refer to the Certificate of Analysis)

Shipping Condition: Shipped under ambient temperature as non-hazardous chemical. This product is stable enough for a few weeks during ordinary shipping and time spent in Customs.

Storage Condition: Dry, dark and at 0 - 4 C for short term (days to weeks) or -20 C for long term (months to years).

Solubility: Soluble in DMSO

Shelf Life: >2 years if stored properly

Drug Formulation: This drug may be formulated in DMSO

Stock Solution Storage: 0 - 4 C for short term (days to weeks), or -20 C for long term (months).

HS Tariff Code: 2934.99.9001

Preparing Stock Solutions

The following data is based on the product molecular weight 379.3818 Batch specific molecular weights may vary from batch to batch due to the degree of hydration, which will affect the solvent volumes required to prepare stock solutions.

Recalculate based on batch purity %
Concentration / Solvent Volume / Mass 1 mg 5 mg 10 mg
1 mM 1.15 mL 5.76 mL 11.51 mL
5 mM 0.23 mL 1.15 mL 2.3 mL
10 mM 0.12 mL 0.58 mL 1.15 mL
50 mM 0.02 mL 0.12 mL 0.23 mL

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1: Zweemer AJ, Bunnik J, Veenhuizen M, Miraglia F, Lenselink EB, Vilums M, de Vries H, Gibert A, Thiele S, Rosenkilde MM, IJzerman AP, Heitman LH. Discovery and mapping of an intracellular antagonist binding site at the chemokine receptor CCR2. Mol Pharmacol. 2014 Oct;86(4):358-68. doi: 10.1124/mol.114.093328. Epub 2014 Jul 14. PubMed PMID: 25024169.

2: Buntinx M, Hermans B, Goossens J, Moechars D, Gilissen RA, Doyon J, Boeckx S, Coesemans E, Van Lommen G, Van Wauwe JP. Pharmacological profile of JNJ-27141491 [(S)-3-[3,4-difluorophenyl)-propyl]-5-isoxazol-5-yl-2-thioxo-2,3-dihydro-1H-imida zole-4-carboxyl acid methyl ester], as a noncompetitive and orally active antagonist of the human chemokine receptor CCR2. J Pharmacol Exp Ther. 2008 Oct;327(1):1-9. doi: 10.1124/jpet.108.140723. Epub 2008 Jul 3. PubMed PMID: 18599682.