PD-404182

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

MedKoo CAT#: 525908

CAS#: 72596-74-8

Description: 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

img
PD-404182
CAS# 72596-74-8

Theoretical Analysis

MedKoo Cat#: 525908
Name: PD-404182
CAS#: 72596-74-8
Chemical Formula: C11H11N3S
Exact Mass: 217.07
Molecular Weight: 217.290
Elemental Analysis: C, 60.80; H, 5.10; N, 19.34; S, 14.75

Price and Availability

This product is not in stock, which may be available by custom synthesis. For cost-effective reason, minimum order is 1g (price is usually high, lead time is 2~3 months, depending on the technical challenge). Quote less than 1g will not be provided. To request quote, please email to sales @medkoo.com or click below button.
Note: Price will be listed if it is available in the future.

Request quote for custom synthesis

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:

Biological target:
In vitro activity:
In vivo activity:

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
Formulation protocol:
In vitro protocol:
In vivo protocol:

Molarity Calculator

Calculate the mass, volume, or concentration required for a solution.
=
x
x
g/mol

*When preparing stock solutions always use the batch-specific molecular weight of the product found on the vial label and SDS / CoA (available online).

Reconstitution Calculator

The reconstitution calculator allows you to quickly calculate the volume of a reagent to reconstitute your vial. Simply enter the mass of reagent and the target concentration and the calculator will determine the rest.

=
÷

Dilution Calculator

Calculate the dilution required to prepare a stock solution.
x
=
x

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.