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MedKoo Cat#: 525908 | Name: PD-404182

Description:

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

PD-404182 is an inhibitor of KDO 8-P synthase (Ki = 26 nM). It is a otential antibiotic of gram negative bacteria. PD-404182 exhibits antiangiogenic and antiviral activity in vitro.

Chemical Structure

PD-404182
PD-404182
CAS#72596-74-8

Theoretical Analysis

MedKoo Cat#: 525908

Name: PD-404182

CAS#: 72596-74-8

Chemical Formula: C11H11N3S

Exact Mass: 217.0674

Molecular Weight: 217.29

Elemental Analysis: C, 60.80; H, 5.10; N, 19.34; S, 14.75

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
PD-404182; PD 404182; PD404182.
IUPAC/Chemical Name
3,4-dihydro-2H,6H-benzo[e]pyrimido[1,2-c][1,3]thiazin-6-imine
InChi Key
JNENSSREQFBZGT-UHFFFAOYSA-N
InChi Code
InChI=1S/C11H11N3S/c12-11-14-7-3-6-13-10(14)8-4-1-2-5-9(8)15-11/h1-2,4-5,12H,3,6-7H2
SMILES Code
N=C1SC2=CC=CC=C2C3=NCCCN13
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 217.29 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: Zhao C, Li T, Han B, Yue W, Shi L, Wang H, Guo Y, Lu Z. DDAH1 deficiency promotes intracellular oxidative stress and cell apoptosis via a miR-21-dependent pathway in mouse embryonic fibroblasts. Free Radic Biol Med. 2016 Mar;92:50-60. doi: 10.1016/j.freeradbiomed.2016.01.015. Epub 2016 Jan 21. PubMed PMID: 26806551. 2: Okazaki S, Oishi S, Mizuhara T, Shimura K, Murayama H, Ohno H, Matsuoka M, Fujii N. Investigations of possible prodrug structures for 2-(2-mercaptophenyl)tetrahydropyrimidines: reductive conversion from anti-HIV agents with pyrimidobenzothiazine and isothiazolopyrimidine scaffolds. Org Biomol Chem. 2015 Apr 28;13(16):4706-13. doi: 10.1039/c5ob00301f. PubMed PMID: 25800792. 3: Okazaki S, Mizuhara T, Shimura K, Murayama H, Ohno H, Oishi S, Matsuoka M, Fujii N. Identification of anti-HIV agents with a novel benzo[4,5]isothiazolo[2,3-a]pyrimidine scaffold. Bioorg Med Chem. 2015 Apr 1;23(7):1447-52. doi: 10.1016/j.bmc.2015.02.015. Epub 2015 Feb 16. PubMed PMID: 25744188. 4: Chamoun-Emanuelli AM, Bobardt M, Moncla B, Mankowski MK, Ptak RG, Gallay P, Chen Z. Evaluation of PD 404,182 as an anti-HIV and anti-herpes simplex virus microbicide. Antimicrob Agents Chemother. 2014;58(2):687-97. doi: 10.1128/AAC.02000-13. Epub 2013 Nov 11. PubMed PMID: 24217696; PubMed Central PMCID: PMC3910842. 5: Ghebremariam YT, Erlanson DA, Cooke JP. A novel and potent inhibitor of dimethylarginine dimethylaminohydrolase: a modulator of cardiovascular nitric oxide. J Pharmacol Exp Ther. 2014 Jan;348(1):69-76. doi: 10.1124/jpet.113.206847. Epub 2013 Oct 17. PubMed PMID: 24135074; PubMed Central PMCID: PMC3868884. 6: Mizuhara T, Oishi S, Ohno H, Shimura K, Matsuoka M, Fujii N. Design and synthesis of biotin- or alkyne-conjugated photoaffinity probes for studying the target molecules of PD 404182. Bioorg Med Chem. 2013 Apr 1;21(7):2079-87. doi: 10.1016/j.bmc.2013.01.016. Epub 2013 Jan 16. PubMed PMID: 23403297. 7: Mizuhara T, Oishi S, Ohno H, Shimura K, Matsuoka M, Fujii N. Structure-activity relationship study of pyrimido[1,2-c][1,3]benzothiazin-6-imine derivatives for potent anti-HIV agents. Bioorg Med Chem. 2012 Nov 1;20(21):6434-41. doi: 10.1016/j.bmc.2012.08.030. Epub 2012 Aug 30. PubMed PMID: 23022280. 8: Mizuhara T, Oishi S, Ohno H, Shimura K, Matsuoka M, Fujii N. Concise synthesis and anti-HIV activity of pyrimido[1,2-c][1,3]benzothiazin-6-imines and related tricyclic heterocycles. Org Biomol Chem. 2012 Sep 7;10(33):6792-802. doi: 10.1039/c2ob25904d. Epub 2012 Jul 24. PubMed PMID: 22829059. 9: Mizuhara T, Oishi S, Fujii N, Ohno H. Efficient synthesis of pyrimido[1,2-c] [1,3]benzothiazin-6-imines and related tricyclic heterocycles by S(N)Ar-type C-S, C-N, or C-O bond formation with heterocumulenes. J Org Chem. 2010 Jan 1;75(1):265-8. doi: 10.1021/jo902327n. PubMed PMID: 19994872.

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