Simpinicline , Neuronal acetylcholine receptor; alpha3/beta4 agonist, CAS No.753015-44-0, Neuronal acetylcholine receptor; alpha3/beta4 agonist

CAS: 753015-44-0 Cat. No.: S671105 Peso molecular: 175.23 PubChem CID: 11528435
Disponible para pedir
Synonyms
Simpinicline | SCHEMBL1335091 | TC6499 | TC-6499-12 | TC-6499 | FNEHSHNEXMPCLJ-VWCDRPFISA-N | Pyrimidine, 5-((1E)-2-(3R)-3-pyrrolidinylethenyl)- | OC-02 | CHEMBL4594254 | UNII-09936A4QSN | SIMPINICLINE [INN] | Simpinicline [USAN] | SCHEMBL1335095 | WHO 11
Storage
Room temperature
 ·  off list, applied to all prices below.
Size
Estado
Price
Qty
1mg
S671105-1mg
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.
999,90US$
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Why this grade

for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

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Storage & shipping

Room temperature Ships Check lot-specific COA for exact specifications.

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Quality documents

SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.

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Literature proof

Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Specifications

Sinónimos
Simpinicline | SCHEMBL1335091 | TC6499 | TC-6499-12 | TC-6499 | FNEHSHNEXMPCLJ-VWCDRPFISA-N | Pyrimidine, 5-((1E)-2-(3R)-3-pyrrolidinylethenyl)- | OC-02 | CHEMBL4594254 | UNII-09936A4QSN | SIMPINICLINE [INN] | Simpinicline [USAN] | SCHEMBL1335095 | WHO 11
Condiciones de almacenamiento de almacenamiento
Room temperature
Tipo de acción
AGONIST
Mecanismo de acción
Neuronal acetylcholine receptor; alpha3/beta4 agonist
Propiedades del producto
ALogP0.6
Nombres e identificadores
Sonrisas canónicasC1CNCC1C=CC2=CN=CN=C2
IUPAC Name5-[(E)-2-[(3R)-pyrrolidin-3-yl]ethenyl]pyrimidine
InChIKeyFNEHSHNEXMPCLJ-VWCDRPFISA-N
INCHI1S/C10H13N3/c1(9-3-4-11-5-9)2-10-6-12-8-13-7-10/h1-2,6-9,11H,3-5H2/b2-1+/t9-/m0/s1
Isómeros SMILES C1CNC[C@H]1/C=C/C2=CN=CN=C2
PubChem CID 11528435
Peso molecular 175.23

Documentation

📋 Safety Data Sheet (SDS)

Comprehensive hazard, handling, storage, and regulatory compliance document.

Download SDS →

✅ Certificate of Analysis (COA)

Lot-specific quality data. Enter your lot number to retrieve the exact COA.

Look up COA →

📊 Datasheet

Quick-reference summary of product specifications and applications.

View datasheet →

🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

View spec sheet →

Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassOrganoheterocyclic compounds
ClaseDiazines
SubclassPyrimidines and pyrimidine derivatives
Intermediate Tree Nodes Not available
Direct ParentPyrimidines and pyrimidine derivatives
Alternative Parents Pyrrolidines  Heteroaromatic compounds  Dialkylamines  Azacyclic compounds  Hydrocarbon derivatives  
Molecular FrameworkAromatic heteromonocyclic compounds
Substituents Pyrimidine - Heteroaromatic compound - Pyrrolidine - Azacycle - Secondary amine - Secondary aliphatic amine - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Amine - Aromatic heteromonocyclic compound
DescripciónThis compound belongs to the class of organic compounds known as pyrimidines and pyrimidine derivatives. These are compounds containing a pyrimidne ring, which is a six-member aromatic heterocycle which consists of two nitrogen atoms (at positions 1 and 3) and four carbon atoms.
External Descriptors Not available
Estructura 3D
Modelo de Estructura Química Interactiva





Certificados (CoA, COO, BSE/TSE y tabla de análisis)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Calculadoras de soluciones
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