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MedKoo Cat#: 575798 | Name: Emvododstat
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Description:

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

Emvododstat (also known as PTC299) is an orally bioavailable inhibitor of dihydroorotate dehydrogenase (DHODH), an enzyme involved in de novo pyrimidine synthesis. By blocking DHODH, emvododstat reduces the proliferation of rapidly dividing cells and modulates inflammatory cytokine production. It is under investigation for treating cancers, viral infections, and inflammatory diseases.

Chemical Structure

Emvododstat
Emvododstat
CAS#1256565-36-2

Theoretical Analysis

MedKoo Cat#: 575798

Name: Emvododstat

CAS#: 1256565-36-2

Chemical Formula: C25H20Cl2N2O3

Exact Mass: 466.0851

Molecular Weight: 467.35

Elemental Analysis: C, 64.25; H, 4.31; Cl, 15.17; N, 5.99; O, 10.27

Price and Availability

Size Price Availability Quantity
10mg USD 450.00 2 Weeks
25mg USD 950.00 2 Weeks
50mg USD 1,450.00 2 Weeks
100mg USD 2,050.00 2 Weeks
200mg USD 2,950.00 2 Weeks
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Related CAS #
No Data
Synonym
Emvododstat; PTC299; PTC 299; PTC-299
IUPAC/Chemical Name
4-chlorophenyl (1S)-6-chloro-1-(4-methoxyphenyl)- 1,3,4,9-tetrahydro-2H-pyrido[3,4-b]indole- 2-carboxylate
InChi Key
SRSHBZRURUNOSM-DEOSSOPVSA-N
InChi Code
InChI=1S/C25H20Cl2N2O3/c1-31-18-7-2-15(3-8-18)24-23-20(21-14-17(27)6-11-22(21)28-23)12-13-29(24)25(30)32-19-9-4-16(26)5-10-19/h2-11,14,24,28H,12-13H2,1H3/t24-/m0/s1
SMILES Code
O=C(N([C@H]1C2=CC=C(OC)C=C2)CCC3=C1NC4=C3C=C(Cl)C=C4)OC5=CC=C(Cl)C=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
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

Preparing Stock Solutions

The following data is based on the product molecular weight 467.35 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: Yang K, Kong R, Spiegel R, Baird JD, O'Keefe K, Howell BA, Watkins PB. Quantitative Systems Toxicology Modeling Informed Safe Dose Selection of Emvododstat in Acute Myeloid Leukemia Patients. Clin Pharmacol Ther. 2024 Mar;115(3):525-534. doi: 10.1002/cpt.3136. Epub 2023 Dec 21. PMID: 38065572. 2: Ma J, Laskin OL, Roffel AF, Vaes WHJ, Tang B, Kolnaar J, O'Keefe K, Golden L, Kong R. Absorption, metabolism and excretion of 14C-emvododstat following repeat daily oral dose administration in human volunteers using a combination of microtracer radioactivity and high radioactivity doses. Drug Metab Dispos. 2023 Oct 18;52(1):DMD-AR-2023-001471. doi: 10.1124/dmd.123.001471. PMID: 37852795. 3: Morton TL, Laskin OL, Kaushik D, Lee L, Ma J, Bar CM, Kristensen A, O'Keefe K, Golden L, Klein M, Kong R. A clinical pharmacokinetic drug-drug interaction study between dextromethorphan and emvododstat, a potent anti-SARS-CoV-2 dihydroorotate dehydrogenase inhibitor. Eur J Clin Pharmacol. 2023 Aug;79(8):1073-1080. doi: 10.1007/s00228-023-03513-4. Epub 2023 Jun 6. PMID: 37278823; PMCID: PMC10243242. 4: Morton TL, Laskin OL, Kaushik D, Lee L, Ma J, Kristensen A, O'Keefe K, Golden L, Klein M, Kong R. A pharmacokinetic drug-drug interaction study between rosuvastatin and emvododstat, a potent anti-SARS-CoV-2 (COVID-19) DHODH (dihydroorotate dehydrogenase) inhibitor. Pharmacol Res Perspect. 2023 Apr;11(2):e01076. doi: 10.1002/prp2.1076. PMID: 36938928; PMCID: PMC10026081. 5: Ma J, Ye Q, Northcutt V, Babiak J, Kong R. Absorption, distribution, metabolism and excretion of 14C-Emvododstat following a single oral dose in rats and dogs. Xenobiotica. 2022 Dec;52(12):1031-1040. doi: 10.1080/00498254.2023.2171925. Epub 2023 Feb 3. PMID: 36700425. 6: Baiazitov RY, Qi H, Arasu T, Lennox W, Cao L, Weetall M, Furia B, Zhuo J, Choi S, Kim MJ, Sheedy J, Davis T, Moon YC. SAR studies toward discovery of emvododstat (PTC299), a potent dihydroorotate dehydrogenase (DHODH) inhibitor. Eur J Med Chem. 2022 Dec 15;244:114826. doi: 10.1016/j.ejmech.2022.114826. Epub 2022 Oct 5. PMID: 36242990. 7: Branstrom A, Cao L, Furia B, Trotta C, Santaguida M, Graci JD, Colacino JM, Ray B, Li W, Sheedy J, Mollin A, Yeh S, Kong R, Sheridan R, Baird JD, O'Keefe K, Spiegel R, Goodwin E, Keating S, Weetall M. Emvododstat, a Potent Dihydroorotate Dehydrogenase Inhibitor, Is Effective in Preclinical Models of Acute Myeloid Leukemia. Front Oncol. 2022 Feb 9;12:832816. doi: 10.3389/fonc.2022.832816. PMID: 35223511; PMCID: PMC8864546. 8: Zhang L, Zhang J, Wang J, Ren C, Tang P, Ouyang L, Wang Y. Recent advances of human dihydroorotate dehydrogenase inhibitors for cancer therapy: Current development and future perspectives. Eur J Med Chem. 2022 Mar 15;232:114176. doi: 10.1016/j.ejmech.2022.114176. Epub 2022 Feb 3. PMID: 35151222. 9: Ma J, Kaushik D, Yeh S, Northcutt V, Babiak J, Risher N, Weetall M, Moon YC, Welch EM, Molony L, O'Keefe K, Kong R. In vitro metabolism, pharmacokinetics and drug interaction potentials of emvododstat, a DHODH inhibitor. Xenobiotica. 2022 Feb;52(2):152-164. doi: 10.1080/00498254.2021.2010287. Epub 2022 Mar 25. PMID: 34846990. 10: Luban J, Sattler RA, Mühlberger E, Graci JD, Cao L, Weetall M, Trotta C, Colacino JM, Bavari S, Strambio-De-Castillia C, Suder EL, Wang Y, Soloveva V, Cintron-Lue K, Naryshkin NA, Pykett M, Welch EM, O'Keefe K, Kong R, Goodwin E, Jacobson A, Paessler S, Peltz SW. The DHODH inhibitor PTC299 arrests SARS-CoV-2 replication and suppresses induction of inflammatory cytokines. Virus Res. 2021 Jan 15;292:198246. doi: 10.1016/j.virusres.2020.198246. Epub 2020 Nov 26. PMID: 33249060; PMCID: PMC7690341.