MedKoo Cat#: 465646 | Name: Admilparant
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Description:

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

Admilparant, also known as BMS-986278, is a potent lysophosphatidic acid receptor 1 (LPA1) antagonist, with a human LPA1 Kb of 6.9 nM. On the basis of its in vivo efficacy in rodent chronic lung fibrosis models and excellent overall ADME (absorption, distribution, metabolism, excretion) properties in multiple preclinical species,

Chemical Structure

Admilparant
Admilparant
CAS#2170126-74-4

Theoretical Analysis

MedKoo Cat#: 465646

Name: Admilparant

CAS#: 2170126-74-4

Chemical Formula: C22H31N5O5

Exact Mass: 445.2325

Molecular Weight: 445.52

Elemental Analysis: C, 59.31; H, 7.01; N, 15.72; O, 17.96

Price and Availability

Size Price Availability Quantity
10mg USD 350.00 2 Weeks
25mg USD 550.00 2 Weeks
50mg USD 950.00 2 Weeks
100mg USD 1,450.00 2 Weeks
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Related CAS #
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Synonym
BMS-986278; BMS986278; BMS 986278; admilparant;
IUPAC/Chemical Name
(1S,3S)-3-((2-methyl-6-(1-methyl-5-(((methyl(propyl)carbamoyl)oxy)methyl)-1H-1,2,3-triazol-4-yl)pyridin-3-yl)oxy)cyclohexane-1-carboxylic acid
InChi Key
UEUNDURNLYLSNB-HOTGVXAUSA-N
InChi Code
InChI=1S/C22H31N5O5/c1-5-11-26(3)22(30)31-13-18-20(24-25-27(18)4)17-9-10-19(14(2)23-17)32-16-8-6-7-15(12-16)21(28)29/h9-10,15-16H,5-8,11-13H2,1-4H3,(H,28,29)/t15-,16-/m0/s1
SMILES Code
O=C([C@@H]1C[C@@H](OC2=CC=C(C3=C(COC(N(C)CCC)=O)N(C)N=N3)N=C2C)CCC1)O
Appearance
Solid powder
Purity
>95% (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 445.52 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: Cheng PTW, Kaltenbach RF 3rd, Zhang H, Shi J, Tao S, Li J, Kennedy LJ, Walker SJ, Shi Y, Wang Y, Dhanusu S, Reddigunta R, Kumaravel S, Jusuf S, Smith D, Krishnananthan S, Li J, Wang T, Heiry R, Sum CS, Kalinowski SS, Hung CP, Chu CH, Azzara AV, Ziegler M, Burns L, Zinker BA, Boehm S, Taylor J, Sapuppo J, Mosure K, Everlof G, Guarino V, Zhang L, Yang Y, Ruan Q, Xu C, Apedo A, Traeger SC, Cvijic ME, Lentz KA, Tirucherai G, Sivaraman L, Robl J, Ellsworth BA, Rosen G, Gordon DA, Soars MG, Gill M, Murphy BJ. Discovery of an Oxycyclohexyl Acid Lysophosphatidic Acid Receptor 1 (LPA1) Antagonist BMS-986278 for the Treatment of Pulmonary Fibrotic Diseases. J Med Chem. 2021 Oct 28. doi: 10.1021/acs.jmedchem.1c01256. Epub ahead of print. PMID: 34709814. 2: Liu W, Hopkins AM, Hou J. The development of modulators for lysophosphatidic acid receptors: A comprehensive review. Bioorg Chem. 2021 Oct 4;117:105386. doi: 10.1016/j.bioorg.2021.105386. Epub ahead of print. PMID: 34695732.