A12B4C3
featured

    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.


Price and Availability

Size
Price

5mg
USD 355
Size
Price

25mg
USD 1115
Size
Price

A12B4C3, purity > 98%, is in stock. Current shipping out time is about 2 weeks after order is received. CoA, QC data and MSDS documents are available in one week after order is received.


Chemical Structure

img

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


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


Technical Data

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).

Harmonized System Code:
293490


References

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.