A12B4C3
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    WARNING: This product is for research use only, not for human or veterinary use.

MedKoo CAT#: 562961

CAS#: 1005129-80-5

Description: A12B4C3 is a selective hPNKP phosphatase inhibitor.


Chemical Structure

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A12B4C3
CAS# 1005129-80-5

Theoretical Analysis

MedKoo Cat#: 562961
Name: A12B4C3
CAS#: 1005129-80-5
Chemical Formula: C30H38N4O5
Exact Mass: 534.2842
Molecular Weight: 534.65
Elemental Analysis: C, 67.39; H, 7.16; N, 10.48; O, 14.96

Price and Availability

Size Price Availability Quantity
5.0mg USD 355.0 2 Weeks
25.0mg USD 1115.0 2 Weeks
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Synonym: A12B4C3; A-12-B-4-C-3; A 12 B 4 C 3; A12 B4 C3; A12-B4-C3;

IUPAC/Chemical Name: 4a,7a-Dihydro-2-(1-hydroxyundecyl)-1-[(4-nitrophenyl)amino]-6-phenyl-1H-pyrrolo[3,4-b]pyridine-5,7(2H,6H)-dione

InChi Key: KVHGJAKTBPFFNV-UHFFFAOYSA-N

InChi Code: InChI=1S/C30H38N4O5/c1-2-3-4-5-6-7-8-12-15-27(35)26-21-20-25-28(30(37)32(29(25)36)23-13-10-9-11-14-23)33(26)31-22-16-18-24(19-17-22)34(38)39/h9-11,13-14,16-21,25-28,31,35H,2-8,12,15H2,1H3

SMILES Code: O=C1N(C2=CC=CC=C2)C(C3C1C=CC(C(O)CCCCCCCCCC)N3NC4=CC=C([N+]([O-])=O)C=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: >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

Preparing Stock Solutions

The following data is based on the product molecular weight 534.65 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

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1: Hall DG, Rybak T, Verdelet T. Multicomponent Hetero-[4 + 2] Cycloaddition/Allylboration Reaction: From Natural Product Synthesis to Drug Discovery. Acc Chem Res. 2016 Nov 15;49(11):2489-2500. Epub 2016 Oct 18. PubMed PMID: 27753496.

2: Zereshkian A, Leyton JV, Cai Z, Bergstrom D, Weinfeld M, Reilly RM. The human polynucleotide kinase/phosphatase (hPNKP) inhibitor A12B4C3 radiosensitizes human myeloid leukemia cells to Auger electron-emitting anti-CD123 ¹¹¹In-NLS-7G3 radioimmunoconjugates. Nucl Med Biol. 2014 May-Jun;41(5):377-83. doi: 10.1016/j.nucmedbio.2014.02.003. Epub 2014 Feb 14. PubMed PMID: 24637100.

3: Freschauf GK, Mani RS, Mereniuk TR, Fanta M, Virgen CA, Dianov GL, Grassot JM, Hall DG, Weinfeld M. Mechanism of action of an imidopiperidine inhibitor of human polynucleotide kinase/phosphatase. J Biol Chem. 2010 Jan 22;285(4):2351-60. doi: 10.1074/jbc.M109.055764. Epub 2009 Nov 23. PubMed PMID: 19940137; PubMed Central PMCID: PMC2807293.

4: Freschauf GK, Karimi-Busheri F, Ulaczyk-Lesanko A, Mereniuk TR, Ahrens A, Koshy JM, Rasouli-Nia A, Pasarj P, Holmes CF, Rininsland F, Hall DG, Weinfeld M. Identification of a small molecule inhibitor of the human DNA repair enzyme polynucleotide kinase/phosphatase. Cancer Res. 2009 Oct 1;69(19):7739-46. doi: 10.1158/0008-5472.CAN-09-1805. Epub 2009 Sep 22. PubMed PMID: 19773431.

A12B4C3

5.0mg / USD 355.0