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MedKoo Cat#: 576990 | Name: MDL-105212A HCl

Description:

WARNING: This product is for research use only, not for human or veterinary use.

MDL-105212A HCl is a nonpeptide NK-1 and NK-2 receptor antagonist.

Chemical Structure

MDL-105212A HCl
MDL-105212A HCl
CAS#167261-60-1

Theoretical Analysis

MedKoo Cat#: 576990

Name: MDL-105212A HCl

CAS#: 167261-60-1

Chemical Formula: C34H40Cl3N3O5

Exact Mass: 675.2034

Molecular Weight: 677.06

Elemental Analysis: C, 60.32; H, 5.96; Cl, 15.71; N, 6.21; O, 11.82

Price and Availability

This product is currently not in stock but may be available through custom synthesis. To ensure cost efficiency, the minimum order quantity is 1 gram. The estimated lead time is 2 to 4 months, with pricing dependent on the complexity of the synthesis (typically high for intricate chemistries). Quotes for quantities below 1 gram will not be provided. To request a quote, please click the button below. Note: If this product becomes available in stock in the future, pricing will be listed accordingly.
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Related CAS #
No Data
Synonym
MDL 105212A; MDL105212A; MDL-105212A
IUPAC/Chemical Name
4-Piperidinecarboxamide, 1-(2-((3R)-3-(3,4-dichlorophenyl)-1-(3,4,5-trimethoxybenzoyl)-3-pyrrolidinyl)ethyl)-4-phenyl-, monohydrochloride
InChi Key
DAYXLOOGUORCMH-WAQYZQTGSA-N
InChi Code
InChI=1S/C34H39Cl2N3O5.ClH/c1-42-28-19-23(20-29(43-2)30(28)44-3)31(40)39-18-12-33(22-39,25-9-10-26(35)27(36)21-25)11-15-38-16-13-34(14-17-38,32(37)41)24-7-5-4-6-8-24;/h4-10,19-21H,11-18,22H2,1-3H3,(H2,37,41);1H/t33-;/m0./s1
SMILES Code
Cl.COc1cc(cc(OC)c1OC)C(=O)N2CC[C@@](CCN3CCC(CC3)(C(=O)N)c4ccccc4)(C2)c5ccc(Cl)c(Cl)c5
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
To be determined
Shelf Life
>2 years if stored properly
Drug Formulation
To be determined
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

Preparing Stock Solutions

The following data is based on the product molecular weight 677.06 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
1. Kudlacz EM, Knippenberg RW, Logan DE, Burkholder TP. Effect of MDL 105,212, a nonpeptide NK-1/NK-2 receptor antagonist in an allergic guinea pig model. J Pharmacol Exp Ther. 1996 Nov;279(2):732-9. PMID: 8930178. 2. Kudlacz EM, Shatzer SA, Knippenberg RW, Logan DE, Poirot M, van Giersbergen PL, Burkholder TP. In vitro and in vivo characterization of MDL 105,212A, a nonpeptide NK-1/NK-2 tachykinin receptor antagonist. J Pharmacol Exp Ther. 1996 May;277(2):840-51. PMID: 8627566.

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