Teijin Compound 1 HCl
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MedKoo CAT#: 462447

CAS#: 1313730-14-1

Description: Teijin compound 1 is an antagonist of chemokine (C-C motif) receptor 2b (CCR2b).

Chemical Structure

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Teijin Compound 1 HCl
CAS# 1313730-14-1
Instruction

Theoretical Analysis

MedKoo Cat#: 462447
Name: Teijin Compound 1 HCl
CAS#: 1313730-14-1
Chemical Formula: C21H22Cl2F3N3O2
Exact Mass: 475.10
Molecular Weight: 476.321
Elemental Analysis: C, 52.95; H, 4.66; Cl, 14.88; F, 11.97; N, 8.82; O, 6.72

Price and Availability

Size Price Availability Quantity
100mg USD 1250 2 Weeks
200mg USD 1950 2 Weeks
500mg USD 2950 2 Weeks
1g USD 4250 2 Weeks
2g USD 6350 2 Weeks
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Related CAS #: 1313730-14-1    

Synonym: Teijin Compound 1 HCl

IUPAC/Chemical Name: (R)-N-(2-((1-(4-chlorobenzyl)pyrrolidin-3-yl)amino)-2-oxoethyl)-3-(trifluoromethyl)benzamide hydrochloride

InChi Key: PGUQBBISBKGQDC-GMUIIQOCSA-N

InChi Code: InChI=1S/C21H21ClF3N3O2.ClH/c22-17-6-4-14(5-7-17)12-28-9-8-18(13-28)27-19(29)11-26-20(30)15-2-1-3-16(10-15)21(23,24)25;/h1-7,10,18H,8-9,11-13H2,(H,26,30)(H,27,29);1H/t18-;/m1./s1

SMILES Code: O=C(CNC(C1=CC(C(F)(F)F)=CC=C1)=O)N[C@@H]2CCN(CC3=CC=C(Cl)C=C3)C2.Cl

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: >3 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

More Info:

Biological target:
In vitro activity:
In vivo activity:

Preparing Stock Solutions

The following data is based on the product molecular weight 476.32 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
Formulation protocol:
In vitro protocol:
In vivo protocol:

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1: Moree, W.J., Kataoka, K.-i., Ramirez-Weinhouse, M.M., et al. Small molecule antagonists of the CCR2b receptor. Part 2: Discovery process and initial structure-activity relationships of diamine derivatives. Bioorg. Med. Chem. Lett. 14(21), 5413-5416 (2004).

2: Hall, S.E., Mao, A., Nicolaidou, V., et al. Elucidation of binding sites of dual antagonists in the human chemokine receptors CCR2 and CCR5. Mol. Pharmacol. 75(6), 1325-1336 (2009).