MedKoo Cat#: 126614 | Name: Mtb ATP synthase-IN-1
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Description:

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

Mtb ATP synthase-IN-1 is a potent Mycobacterium tuberculosis (Mtb) ATP synthase inhibitor, with MIC of 0.452-0.499 μg/mL against Mtb.

Chemical Structure

Mtb ATP synthase-IN-1
Mtb ATP synthase-IN-1
CAS#2642394-38-3

Theoretical Analysis

MedKoo Cat#: 126614

Name: Mtb ATP synthase-IN-1

CAS#: 2642394-38-3

Chemical Formula: C17H13N3O4

Exact Mass: 323.0906

Molecular Weight: 323.31

Elemental Analysis: C, 63.16; H, 4.05; N, 13.00; O, 19.79

Price and Availability

Size Price Availability Quantity
50mg USD 950.00 2 Weeks
200mg USD 2,450.00 2 Weeks
1g USD 4,350.00 2 Weeks
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Related CAS #
No Data
Synonym
Mtb ATP synthase-IN-1; Mtb ATP synthase IN-1; Mtb ATP synthase-IN 1; Mtb ATP synthase IN 1
IUPAC/Chemical Name
3-(benzo[d][1,3]dioxol-5-ylamino)-4-((pyridin-2-ylmethyl)amino)cyclobut-3-ene-1,2-dione
InChi Key
ZEYYGLIHJGBVNS-UHFFFAOYSA-N
InChi Code
InChI=1S/C17H13N3O4/c21-16-14(19-8-11-3-1-2-6-18-11)15(17(16)22)20-10-4-5-12-13(7-10)24-9-23-12/h1-7,19-20H,8-9H2
SMILES Code
O=C1C(C(NC2=CC=C3OCOC3=C2)=C1NCC4=NC=CC=C4)=O
Appearance
To be determined
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
To be determined
Shelf Life
>2 years if stored properly
Drug Formulation
To be determined
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:
Mtb ATP synthase inhibitor
In vitro activity:
In vivo activity:

Preparing Stock Solutions

The following data is based on the product molecular weight 323.31 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
Li P, Wang B, Li G, Fu L, Zhang D, Lin Z, Huang H, Lu Y. Design, synthesis and biological evaluation of diamino substituted cyclobut-3-ene-1,2-dione derivatives for the treatment of drug-resistant tuberculosis. Eur J Med Chem. 2020 Nov 15;206:112538. doi: 10.1016/j.ejmech.2020.112538. Epub 2020 Jul 19. PMID: 32927218.