Pirenzepine dihydrochloride - ≥98% , CAS No.29868-97-1

CAS: 29868-97-1 Cat. No.: P129078 Molecular Weight: 424.32 EC Number: 249-907-5 PubChem CID: 71405

GRADE & PURITY ≥98%

Synonyms

Pirenzepine dihydrochloride | SR-01000000220-2 | Bisvanil | Pirenzepine dihydrochloride, >=98% (TLC), powder | BCP12435 | FT-0619757 | Glucose | 1,3-diazinane-2,4,5,6-tetrone | AKOS024456369 | Leblon | MFCD00002414 | PIRENZEPINE HYDROCHLORIDE [USAN] | SCH

Storage

Room temperature

Shipped In

Normal

Overview

Application：

Pirenzepine dihydrochloride has been used in transactivation of fibroblast growth factor receptor (FGFR).as a supplement in cell culture.for the stimulation of human fibroblasts

Specifications

Synonyms

Pirenzepine dihydrochloride | SR-01000000220-2 | Bisvanil | Pirenzepine dihydrochloride, >=98% (TLC), powder | BCP12435 | FT-0619757 | Glucose | 1, 3-diazinane-2, 4, 5, 6-tetrone | AKOS024456369 | Leblon | MFCD00002414 | PIRENZEPINE HYDROCHLORIDE [USAN] | SCH

Specifications & Purity

≥98%

Biochemical and Physiological Mechanisms

Selective M 1 receptor antagonist.

Storage

Room temperature

Shipped In

Normal

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

• Pubchem Sid: 488184653
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488184653
• Canonical Smiles: CN1CCN(CC1)CC(=O)N2C3=CC=CC=C3C(=O)NC4=C2N=CC=C4.Cl.Cl
• IUPAC Name: 11-[2-(4-methylpiperazin-1-yl)acetyl]-5H-pyrido[2,3-b][1,4]benzodiazepin-6-one;dihydrochloride
• InChIKey: FFNMBRCFFADNAO-UHFFFAOYSA-N
• INCHI: 1S/C19H21N5O2.2ClH/c1-22-9-11-23(12-10-22)13-17(25)24-16-7-3-2-5-14(16)19(26)21-15-6-4-8-20-18(15)24;;/h2-8H,9-13H2,1H3,(H,21,26);2*1H
• Isomeric SMILES: CN1CCN(CC1)CC(=O)N2C3=CC=CC=C3C(=O)NC4=C2N=CC=C4.Cl.Cl
• WGK Germany: 2
• RTECS: UU7883000
• PubChem CID: 71405
• Molecular Weight: 424.32

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Benzodiazepines
      • Subclass 1,4-benzodiazepines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Benzodiazepines
• Subclass: 1,4-benzodiazepines
• Intermediate Tree Nodes: Not available
• Direct Parent: 1,4-benzodiazepines
• Alternative Parents: Pyridodiazepines Alpha amino acids and derivatives N-piperazineacetamides 1,4-diazepines N-methylpiperazines Pyridines and derivatives Imidolactams Benzenoids Vinylogous amides Heteroaromatic compounds Tertiary carboxylic acid amides Trialkylamines Lactams Secondary carboxylic acid amides Azacyclic compounds Organopnictogen compounds Organic oxides Hydrochlorides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: 1,4-benzodiazepine - Pyrido-para-diazepine - Alpha-amino acid or derivatives - N-piperazineacetamide - Para-diazepine - N-alkylpiperazine - N-methylpiperazine - 1,4-diazinane - Piperazine - Pyridine - Imidolactam - Benzenoid - Heteroaromatic compound - Vinylogous amide - Tertiary carboxylic acid amide - Amino acid or derivatives - Carboxamide group - Lactam - Secondary carboxylic acid amide - Tertiary amine - Tertiary aliphatic amine - Carboxylic acid derivative - Azacycle - Organooxygen compound - Organonitrogen compound - Organic oxide - Amine - Organopnictogen compound - Organic oxygen compound - Hydrocarbon derivative - Hydrochloride - Organic nitrogen compound - Carbonyl group - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as 1,4-benzodiazepines. These are organic compounds containing a benzene ring fused to a 1,4-azepine.
• External Descriptors: hydrochloride

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(Human)

POLH Tchem DNA polymerase eta (21678 Activities)

Discover Target: POLH

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

APEX1 Tchem DNA-(apurinic or apyrimidinic site) lyase (38016 Activities)

Discover Target: APEX1

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

EHMT2 Tchem Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 (93046 Activities)

Discover Target: EHMT2

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

LMNA Tbio Prelamin-A/C (36751 Activities)

Discover Target: LMNA

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

GMNN Tbio Geminin (128009 Activities)

Discover Target: GMNN

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SLCO1B1 Tchem Solute carrier organic anion transporter family member 1B1 (2672 Activities)

Discover Target: SLCO1B1

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

SLCO1B3 Tchem Solute carrier organic anion transporter family member 1B3 (2517 Activities)

Discover Target: SLCO1B3

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Associated Targets(non-human)

rep Replicase polyprotein 1ab (378 Activities)

Discover Target: rep

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

Txnrd1 Thioredoxin reductase 1, cytoplasmic (45279 Activities)

Discover Target: Txnrd1

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Mechanisms of Action

Chemical and Physical Properties

• Solubility: Soluble in water; Slightly soluble in Methanol; Insoluble in Ether
• Sensitivity: Moisture sensitive
• Melt Point(°C): 270 °C(dec.)
• Molecular Weight: 424.300 g/mol
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 423.123 Da
• Monoisotopic Mass: 423.123 Da
• Topological Polar Surface Area: 68.800 Ų
• Heavy Atom Count: 28
• Formal Charge: 0
• Complexity: 534.000
• 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: 3

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