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MedKoo Cat#: 462331 | Name: DHODH-IN-7

Description:

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

DHODH-IN-7 is a human dihydroorotate dehydrogenase (DHODH) inhibitor. It induces differentiation in acute myeloid leukemia.

Chemical Structure

DHODH-IN-7
CAS#2029049-77-0

Theoretical Analysis

MedKoo Cat#: 462331

Name: DHODH-IN-7

CAS#: 2029049-77-0

Chemical Formula: C21H21F3N2O2

Exact Mass: 390.1555

Molecular Weight: 390.41

Elemental Analysis: C, 64.61; H, 5.42; F, 14.60; N, 7.18; O, 8.20

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
DHODH-IN-7; DHODH IN 7; DHODH IN-7; DHODH-IN 7; dihydroorotate dehydrogenase-IN-7; dihydroorotate dehydrogenase inhibitor 7
IUPAC/Chemical Name
(R)-N-(3-oxo-3-((1,2,3,4-tetrahydronaphthalen-1-yl)amino)propyl)-4-(trifluoromethyl)benzamide
InChi Key
PBJCCXHBDNQZSF-GOSISDBHSA-N
InChi Code
InChI=1S/C21H21F3N2O2/c22-21(23,24)16-10-8-15(9-11-16)20(28)25-13-12-19(27)26-18-7-3-5-14-4-1-2-6-17(14)18/h1-2,4,6,8-11,18H,3,5,7,12-13H2,(H,25,28)(H,26,27)/t18-/m1/s1
SMILES Code
O=C(NCCC(N[C@@H]1CCCC2=C1C=CC=C2)=O)C3=CC=C(C(F)(F)F)C=C3
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

Preparing Stock Solutions

The following data is based on the product molecular weight 390.41 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: Lewis TA, Sykes DB, Law JM, et al. Development of ML390: A Human DHODH Inhibitor That Induces Differentiation in Acute Myeloid Leukemia. ACS Med Chem Lett. 2016;7(12):1112-1117. Published 2016 Sep 28. doi:10.1021/acsmedchemlett.6b00316