PluriSIn #1 (NSC 14613) - ≥98% , CAS No.91396-88-2

CAS: 91396-88-2 Cat. No.: P129781 Molecular Weight: 213.24 EC Number: 804-702-5

GRADE & PURITY ≥98%

Synonyms

DTXSID30279924 | Q63396122 | SR-01000195348 | I0975 | C12H11N3O | HMS3870N13 | NSC14613 | NSC-14613 | N'-phenylpyridine-4-carbohydrazide | PluriSln1 | SW219761-1 | AC-32930 | NCGC00371137-01 | PluriSln 1 | AKOS002347507 | Pluripotent cell-specific inhibit

Storage

Store at 2-8°C

Shipped In

Wet ice

Overview

PluriSIn #1 is an inhibitor of the stearoyl-coA desaturase 1 (SCD1), which is able to selectively eliminate hPSCs
A SCD1 inhibitor and apoptosis inducer.

Specifications

Synonyms

DTXSID30279924 | Q63396122 | SR-01000195348 | I0975 | C12H11N3O | HMS3870N13 | NSC14613 | NSC-14613 | N'-phenylpyridine-4-carbohydrazide | PluriSln1 | SW219761-1 | AC-32930 | NCGC00371137-01 | PluriSln 1 | AKOS002347507 | Pluripotent cell-specific inhibit

Specifications & Purity

≥98%

Biochemical and Physiological Mechanisms

PluriSln 1 is an inhibitor of stearoyl-CoA desaturase 1 (SCD1). It is useful for eliminating undifferentiated human pluripotent stem cells (hPSCs) from culture by selectively inducing apoptosis in these cells. Additionally, pluriSln 1 induces endoplasmic

Storage

Store at 2-8°C

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Action Type

INHIBITOR

Note

Wherever possible, you should prepare and use solutions on the same day. However, if you need to make up stock solutions in advance, we recommend that you store the solution as aliquots in tightly sealed vials at -20°C. Generally, these will be useable for up to one month. Before use, and prior to opening the vial we recommend that you allow your product to equilibrate to room temperature for at least 1 hour. Need more advice on solubility, usage and handling? Please visit our frequently asked questions (FAQ) page for more details.

Purity

≥98%

Names and Identifiers

• Canonical Smiles: C1=CC=C(C=C1)NNC(=O)C2=CC=NC=C2
• IUPAC Name: N'-phenylpyridine-4-carbohydrazide
• InChIKey: HUDWXDLBWRHCKO-UHFFFAOYSA-N
• INCHI: 1S/C12H11N3O/c16-12(10-6-8-13-9-7-10)15-14-11-4-2-1-3-5-11/h1-9,14H,(H,15,16)
• Isomeric SMILES: C1=CC=C(C=C1)NNC(=O)C2=CC=NC=C2
• WGK Germany: 3
• Molecular Weight: 213.24
• Reaxy-Rn: 172867
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=172867&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Pyridines and derivatives
      • Subclass Pyridinecarboxylic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Pyridines and derivatives
• Subclass: Pyridinecarboxylic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Pyridinecarboxylic acids and derivatives
• Alternative Parents: Phenylhydrazines Heteroaromatic compounds Carboxylic acid hydrazides Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Pyridine carboxylic acid or derivatives - Phenylhydrazine - Monocyclic benzene moiety - Benzenoid - Heteroaromatic compound - Carboxylic acid hydrazide - Carboxylic acid derivative - Azacycle - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organonitrogen compound - Organopnictogen compound - Organic oxygen compound - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as pyridinecarboxylic acids and derivatives. These are compounds containing a pyridine ring bearing a carboxylic acid group or a derivative thereof.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

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

Mechanisms of Action

Chemical and Physical Properties

• Solubility: DMSO 43 mg/mL Water <1 mg/mL Ethanol <1 mg/mL
• Sensitivity: Heat Sensitive
• Melt Point(°C): 189 °C
• Molecular Weight: 213.230 g/mol
• XLogP3: 2.000
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 213.09 Da
• Monoisotopic Mass: 213.09 Da
• Topological Polar Surface Area: 54.000 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 220.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1