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A12B4C3 - ≥98%(HPLC), high purity , CAS No.1005129-80-5

≥98%(HPLC)

CAS#: 1005129-80-5
Formula: C₃₀H₃₈N₄O₅
Molecular Weight: 534.65
PubChem CID: 6610064

Item Number

A287308

Grouped product items
SKU	Size	Availability	Price	Qty
A287308-10mg	10mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$254.90
A287308-50mg	50mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,068.90

Potent and selective polynucleotide kinase/phosphatase (PNKP) inhibitor

Basic Description

Synonyms	A 12B4C3;A-12B4C3 \| DTXSID90425001 \| A12 B4 C3 \| CS-0019941 \| 4a,7a-Dihydro-2-(1-hydroxyundecyl)-1-[(4-nitrophenyl)amino]-6-phenyl-1H-pyrrolo[3,4-b]pyridine-5,7(2H,6H)-dione \| A12B4C3 \| A-12-B-4-C-3 \| A12-B4-C3 \| BCB02_000099 \| A 12 B 4 C 3 \| HY-100683 \|
Specifications & Purity	≥98%(HPLC)
Biochemical and Physiological Mechanisms	Potent and selective polynucleotide kinase/phosphatase (PNKP) inhibitor (IC50= 60 nM). Displays no effect on calcineurin, protein PP-1 or APTX. Interrupts DNA repair and enhances radiosensitivity of human A549 lung carcinoma and MDA-MB-231 cells.
Storage Temp	Store at 2-8°C
Shipped In	Wet ice

Associated Targets(Human)

PNKP Tchem Bifunctional polynucleotide phosphatase/kinase (4 Activities)

Discover Target: PNKP

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

PPP1CC Tchem Serine/threonine protein phosphatase PP1-gamma catalytic subunit (63 Activities)

Discover Target: PPP1CC

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

A549 (127892 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

MDA-MB-231 (73002 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

M059J (150 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

APTX Tbio Aprataxin (1 Activities)

Discover Target: APTX

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Associated Targets(non-human)

Hdac6 Histone deacetylase 6 (222 Activities)

Discover Target: Hdac6

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

rep Replicase polyprotein 1ab (378 Activities)

Discover Target: rep

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

SARS-CoV-2 (38078 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Names and Identifiers

IUPAC Name	2-(1-hydroxyundecyl)-1-(4-nitroanilino)-6-phenyl-4a,7a-dihydro-2H-pyrrolo[3,4-b]pyridine-5,7-dione
INCHI	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
InChi Key	KVHGJAKTBPFFNV-UHFFFAOYSA-N
Canonical SMILES	CCCCCCCCCCC(C1C=CC2C(N1NC3=CC=C(C=C3)[N+](=O)[O-])C(=O)N(C2=O)C4=CC=CC=C4)O
Isomeric SMILES	CCCCCCCCCCC(C1C=CC2C(N1NC3=CC=C(C=C3)[N+](=O)[O-])C(=O)N(C2=O)C4=CC=CC=C4)O
PubChem CID	6610064
Molecular Weight	534.65

Safety and Hazards(GHS)

Pictogram(s)	GHS06
Signal	Danger
Hazard Statements	H301:Toxic if swallowed
Precautionary Statements	P321:Specific treatment (see ... on this label). P405:Store locked up. P501:Dispose of contents/container to ... P264:Wash hands [and …] thoroughly after handling. P270:Do not eat, drink or smoke when using this product. P330:Rinse mouth. P301+P316:IF SWALLOWED: Get emergency medical help immediately.

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A12B4C3 - ≥98%(HPLC), high purity , CAS No.1005129-80-5

Basic Description

Associated Targets(Human)

Associated Targets(non-human)

Mechanisms of Action

Names and Identifiers

Certificates

Certificate of Analysis(COA)

Chemical and Physical Properties

Safety and Hazards(GHS)

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