MDK36122
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MedKoo CAT#: 530594

CAS#: 1033836-12-2

Description: MDK36122, also known as 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 Structure

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MDK36122
CAS# 1033836-12-2
Instruction

Theoretical Analysis

MedKoo Cat#: 530594
Name: MDK36122
CAS#: 1033836-12-2
Chemical Formula: C19H19F4N3O
Exact Mass: 381.15
Molecular Weight: 381.375
Elemental Analysis: C, 59.84; H, 5.02; F, 19.93; N, 11.02; O, 4.20

Price and Availability

Size Price Availability Quantity
25mg USD 250 2 Weeks
50mg USD 450 2 Weeks
100mg USD 800 2 Weeks
250mg USD 1650 2 Weeks
Bulk inquiry

Synonym: MDK36122; MDK36122; MDK-36122; H-PGDS Inhibitor I; Prostaglandin D Synthase (hematopoietic-type) Inhibitor I.

IUPAC/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

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

More Info:

Biological target:
In vitro activity:
In vivo activity:

Preparing Stock Solutions

The following data is based on the product molecular weight 381.37 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: 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.