WARNING: This product is for research use only, not for human or veterinary use.
Hodoodo CAT#: H563172
CAS#: 1217513-24-0
Description: MMV008138 is an MEP pathway-targeting antimalarial agent.
Hodoodo Cat#: H563172
Name: MMV008138
CAS#: 1217513-24-0
Chemical Formula: C18H14Cl2N2O2
Exact Mass: 360.04
Molecular Weight: 361.220
Elemental Analysis: C, 59.85; H, 3.91; Cl, 19.63; N, 7.76; O, 8.86
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Synonym: MMV008138; MMV-008138; MMV 008138;
IUPAC/Chemical Name: (3S)-1-(2,4-Dichlorophenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylic acid
InChi Key: ZJDRIKAAFJMYGX-VYRBHSGPSA-N
InChi Code: InChI=1S/C18H14Cl2N2O2/c19-9-5-6-11(13(20)7-9)16-17-12(8-15(22-16)18(23)24)10-3-1-2-4-14(10)21-17/h1-7,15-16,21-22H,8H2,(H,23,24)/t15-,16?/m0/s1
SMILES Code: O=C([C@@H]1CC2=C(C(C3=CC=C(Cl)C=C3Cl)N1)NC4=C2C=CC=C4)O
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: 2934.99.03.00
More Info:
| Biological target: | |
| In vitro activity: | |
| In vivo activity: |
The following data is based on the product molecular weight 361.22 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.
| 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: |
1: Saggu GS, Garg S, Pala ZR, Kochar SK, Saxena V. Deciphering the role of IspD (2 C methyl d erythritol 4 phosphate cytidyltransferase) enzyme as a potential therapeutic drug target against Plasmodium vivax. Gene. 2018 Jun 26. pii: S0378-1119(18)30745-5. doi: 10.1016/j.gene.2018.06.084. [Epub ahead of print] PubMed PMID: 29958953.
2: Ghavami M, Merino EF, Yao ZK, Elahi R, Simpson ME, Fernández-Murga ML, Butler JH, Casasanta MA, Krai PM, Totrov MM, Slade DJ, Carlier PR, Cassera MB. Biological Studies and Target Engagement of the 2- C-Methyl-d-Erythritol 4-Phosphate Cytidylyltransferase (IspD)-Targeting Antimalarial Agent (1 R,3 S)-MMV008138 and Analogs. ACS Infect Dis. 2018 Apr 13;4(4):549-559. doi: 10.1021/acsinfecdis.7b00159. Epub 2017 Nov 7. PubMed PMID: 29072835; PubMed Central PMCID: PMC5899049.
3: Saggu GS, Pala ZR, Garg S, Saxena V. New Insight into Isoprenoids Biosynthesis Process and Future Prospects for Drug Designing in Plasmodium. Front Microbiol. 2016 Sep 13;7:1421. doi: 10.3389/fmicb.2016.01421. eCollection 2016. Review. PubMed PMID: 27679614; PubMed Central PMCID: PMC5020098.
4: Imlay LS, Armstrong CM, Masters MC, Li T, Price KE, Edwards RL, Mann KM, Li LX, Stallings CL, Berry NG, O'Neill PM, Odom AR. Plasmodium IspD (2-C-Methyl-D-erythritol 4-Phosphate Cytidyltransferase), an Essential and Druggable Antimalarial Target. ACS Infect Dis. 2015 Apr 10;1(4):157-167. Epub 2015 Mar 2. PubMed PMID: 26783558; PubMed Central PMCID: PMC4714788.
5: Yao ZK, Krai PM, Merino EF, Simpson ME, Slebodnick C, Cassera MB, Carlier PR. Determination of the active stereoisomer of the MEP pathway-targeting antimalarial agent MMV008138, and initial structure-activity studies. Bioorg Med Chem Lett. 2015 Apr 1;25(7):1515-9. doi: 10.1016/j.bmcl.2015.02.020. Epub 2015 Feb 21. PubMed PMID: 25754494; PubMed Central PMCID: PMC4374032.
6: Bowman JD, Merino EF, Brooks CF, Striepen B, Carlier PR, Cassera MB. Antiapicoplast and gametocytocidal screening to identify the mechanisms of action of compounds within the malaria box. Antimicrob Agents Chemother. 2014;58(2):811-9. doi: 10.1128/AAC.01500-13. Epub 2013 Nov 18. PubMed PMID: 24247137; PubMed Central PMCID: PMC3910863.
