HPGDS inhibitor 1

Cas：1033836-12-2

Product Information：

H-PGDS Inhibitor I is a Prostaglandin D Synthase (hematopoietic-type) Inhibitor. MDK36122 has no code name, and has CAS#1033836-12-2. The last 5-digit was used for name for easy communication. MDK36122 selectively blocks HPGDS (IC50s = 0.7 and 32 nM in enzyme and cellular assays, respectively) with little activity against the related human enzymes L-PGDS, mPGES, COX-1, COX-2, and 5-LOX.

Chemical Formula: C19H19F4N3O

Exact Mass: 381.1464

Molecular Weight: 381.3746

Elemental Analysis: C, 59.84; H, 5.02; F, 19.93; N, 11.02; O, 4.20

Synonym: 

MDK36122

MDK36122

MDK-36122

• PGDS Inhibitor I

• Prostaglandin D Synthase (hematopoietic-type) Inhibitor I

Chemical Name:

6-(3-fluorophenyl)-N-[1-(2,2,2-trifluoroethyl)-4-piperidinyl]-3-pyridinecarboxamide

InChi Key:

LPUCBGGXXIUBAZ-UHFFFAOYSA-N

InChi Code:

InChI=1S/C19H19F4N3O/c20-15-3-1-2-13(10-15)17-5-4-14(11-24-17)18(27)25-16-6-8-26(9-7-16)12-19(21,22)23/h1-5,10-11,16H,6-9,12H2,(H,25,27)

Smiles Code:

O=C(C1=CC=C(C2=CC=CC(F)=C2)N=C1)NC3CCN(CC(F)(F)F)CC3

Technical Data：

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

In Vitro：

HPGDS inhibitor 1 has equal potency against purified HPGDS from human, rat, dog, and sheep (IC50, 0.5-2.3 nM).

In Vivo：

HPGDS inhibitor 1 (compound 8; 1 mg/kg) has excellent PK characteristics with 76% bioavailability, and the T1/2 is 4.1 hours in rats.

Rats dosed orally with 1 mg/kg and 10 mg/kg HPGDS inhibitor 1 (compound 8) are sacrificed at various times. Oral administration of HPGDS inhibitor 1 blocks PGD2 production in the rat spleen; inhibition of PGD2 is inversely correlated with the plasma concentration of HPGDS inhibitor 1 in a time- and dose-dependent manner.

HPGDS inhibitor 1 (compound 8; 1 mg/mL) illustrates efficacy in an in vivo sheep model of asthma.

References：

1. Carron CP, Trujillo JI, Olson KL, Huang W, Hamper BC, Dice T, Neal BE, Pelc MJ, Day JE, Rohrer DC, Kiefer JR, Moon JB, Schweitzer BA, Blake TD, Turner SR, Woerndle R, Case BL, Bono CP, Dilworth VM, Funckes-Shippy CL, Hood BL, Jerome GM, Kornmeier CM, Radabaugh MR, Williams ML, Davies MS, Wegner CD, Welsch DJ, Abraham WM, Warren CJ, Dowty ME, Hua F, Zutshi A, Yang JZ, Thorarensen A. Discovery of an Oral Potent Selective Inhibitor of Hematopoietic Prostaglandin D Synthase (HPGDS). ACS Med Chem Lett. 2010 Feb 2;1(2):59-63. doi: 10.1021/ml900025z. eCollection 2010 May 13. PubMed PMID: 24900177; PubMed Central PMCID: PMC4007851.

Products are for research use only. Not for human use.