Basic information
- CAS
796-42-9- Standard SMILES
O=C(NN=Cc1c(O)ccc2ccccc12)c1ccncc1- InChIKey
WQSHHAVECQJKLX-UHFFFAOYSA-N- Molecular formula
- C17H13N3O2
- Average molar mass
- 291.3 g/mol
- Monoisotopic mass
- 291.10077667
Names & identifiers
- Preferred name
- N'-[(2-hydroxynaphthalen-1-yl)methylidene]pyridine-4-carbohydrazide
- IUPAC
- N-[(2-hydroxynaphthalen-1-yl)methylideneamino]pyridine-4-carboxamide
- English name
- N'-((2-hydroxynaphthalen-1-yl)methylene)isonicotinohydrazide
- Molecular formula
- C17H13N3O2
- Molecular weight
- 291.3
Names & synonyms
796-42-9AS 8351N'-[(2-hydroxynaphthalen-1-yl)methylidene]pyridine-4-carbohydrazideMFCD00033110MLS002702858NSC513552- HYDROXY-1-NAPHTHALDEHYDE-ISONICOTINOYLHYDRAZONECBDivE_006818SCHEMBL1679411CHEMBL1698529N'-[(E)-(2-hydroxynaphthalen-1-yl)methylidene]pyridine-4-carbohydrazideDTXSID301356849
Show more names
AS8351NSC-51355NSC 51355AS-8351 ，S5772AS8351, 10 mM in DMSOAS8351NSC 51355NSC-51355N'-[(2-Hydroxy-1-naphthyl)methylene]isonicotinohydrazideN'-((2-hydroxynaphthalen-1-yl)methylene)isonicotinohydrazideNSC-51355,NSC 51355,Histone Demethylase,AS8351,inhibit,Inhibitor
s5772AKOS016868139NCI60_004242PD064915PD087472SMR001495738A33392-hydroxy-1-naphthaldehyde isonicotinoyl hydrazone
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 74.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 407
Physicochemical properties
- Melting point
- 180 · 180-182 °C (decomp)(Solvent: Ethanol)
- Density
- 1.27 · 1.270±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- storage temp.
- -20 °C · Inert atmosphere,Store in freezer, under -20°C
- solubility
- Soluble in DMSO (45 mg/ml); ethanol (10 mg/ml with warming)
- form
- solid
- pka
- 8.203 · 8.203±0.50(predicted)
- color
- Yellow
- Stability
- 2 years · Stable for 2 years from date of purchase as supplied. Solutions in DMSO or ethanol may be stored at -20°C for up to 3 months.
- InChI
- 1S/C17H13N3O2/c21-16-6-5-12-3-1-2-4-14(12)15(16)11-19-20-17(22)13-7-9-18-10-8-13/h1-11,21H,(H,20,22)/b19-11+
- InChIKey
- WQSHHAVECQJKLX-YBFXNURJSA-N
- SMILES
- OC1=CC=C(C=CC=C2)C2=C1/C=N/NC(C3=CC=NC=C3)=O
- UNSPSC Code
- 12352200 · 12352200
- NACRES
- 77 · NA.77
- Symbol(GHS)
- 7 · GHS07
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- wgk
- WGK 3
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Storage Class
- 11 - Combustible Solids
- target organs
- Respiratory system
- Hazard statements
- H315-H319-H335
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
- Precautionary statements
- P305+P351+P338
Chemistry & industry
Applications
DescriptionAS-8351 is a histone demethylase inhibitor. It has been used in combination with CHIR99021 , A 83-01 , BIX01294 , SC-1 , Y-27632 (Item No. 10005583), OAC2 , SU 16f , and JNJ-10198409 to induce reprogramming of human fetal lung fibroblasts into functional cardiomyocytes.
UsesAS 8351 is used in the conversion of human fibroblasts into functional cardiomyocytes, which provides a promising source for regenerative therapy.
Upstream & downstream products
Upstream raw materials
Suppliers54 total
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
上海遐瑞医药科技有限公司+86-021-61551413 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
河南阿尔法化工有限公司0371-55013243 15324716602 · [email protected]
InvivoChem中国13549236410 · [email protected]
MedBio脉铂医药021-69568360 18916172912 · [email protected]
MedChemexpress LLC021-58955995 · [email protected]
韶关市启程生物科技有限公司
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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