Dapiprazole hydrochloride - ≥98% , Alpha-1a adrenergic receptor antagonist, CAS No.72822-13-0, Alpha-1a adrenergic receptor antagonist

CAS: 72822-13-0 Cat. No.: D275147 Molecular Weight: 361.91 EC Number: 887-935-5

GRADE & PURITY ≥98%

Synonyms

AKOS000119855 | CAS-72822-13-0 | DAPIPRAZOLE HYDROCHLORIDE [ORANGE BOOK] | DAPIPRAZOLE HYDROCHLORIDE [MART.] | 3-(2-(4-o-tolylpiperazin-1-yl)ethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine hydrochloride | 5,6,7,8-Tetrahydro-3-[2-(4-O-tolyl-1-pipe

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

Synonyms

AKOS000119855 | CAS-72822-13-0 | DAPIPRAZOLE HYDROCHLORIDE [ORANGE BOOK] | DAPIPRAZOLE HYDROCHLORIDE [MART.] | 3-(2-(4-o-tolylpiperazin-1-yl)ethyl)-5, 6, 7, 8-tetrahydro-[1, 2, 4]triazolo[4, 3-a]pyridine hydrochloride | 5, 6, 7, 8-Tetrahydro-3-[2-(4-O-tolyl-1-pipe

Specifications & Purity

≥98%

Biochemical and Physiological Mechanisms

Selective α 1 -adrenoreceptor antagonist. Shows 10-fold selectivey for A and D subtypes over B subtype. Antipsychotic agent. Active in vivo and in vitro .

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

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

Action Type

ANTAGONIST

Mechanism of action

Alpha-1a adrenergic receptor antagonist

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: 488195872
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488195872
• Canonical Smiles: CC1=CC=CC=C1N2CCN(CC2)CCC3=NN=C4N3CCCC4.Cl
• IUPAC Name: 3-[2-[4-(2-methylphenyl)piperazin-1-yl]ethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine;hydrochloride
• InChIKey: ZIODNPFQZIHCOE-UHFFFAOYSA-N
• INCHI: 1S/C19H27N5.ClH/c1-16-6-2-3-7-17(16)23-14-12-22(13-15-23)11-9-19-21-20-18-8-4-5-10-24(18)19;/h2-3,6-7H,4-5,8-15H2,1H3;1H
• Isomeric SMILES: CC1=CC=CC=C1N2CCN(CC2)CCC3=NN=C4N3CCCC4.Cl
• Molecular Weight: 361.91
• Reaxy-Rn: 6494907
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=6494907&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Diazinanes
      • Subclass Piperazines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Diazinanes
• Subclass: Piperazines
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylpiperazines
• Alternative Parents: N-arylpiperazines Triazolopyridines Dialkylarylamines Aniline and substituted anilines Aminotoluenes N-alkylpiperazines Aralkylamines Pyridines and derivatives Triazoles Heteroaromatic compounds Trialkylamines Azacyclic compounds Organopnictogen compounds Hydrochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Phenylpiperazine - N-arylpiperazine - Triazolopyridine - Tertiary aliphatic/aromatic amine - Aminotoluene - Aniline or substituted anilines - Dialkylarylamine - Toluene - N-alkylpiperazine - Aralkylamine - Monocyclic benzene moiety - Pyridine - Benzenoid - Heteroaromatic compound - 1,2,4-triazole - Triazole - Azole - Tertiary aliphatic amine - Tertiary amine - Azacycle - Hydrocarbon derivative - Organopnictogen compound - Organic nitrogen compound - Organonitrogen compound - Amine - Hydrochloride - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as phenylpiperazines. These are compounds containing a phenylpiperazine skeleton, which consists of a piperazine bound to a phenyl group.
• 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(Human)

ABL1 Tclin Tyrosine-protein kinase ABL (18331 Activities)

Discover Target: ABL1

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ADRB2 Tclin Beta-2 adrenergic receptor (11824 Activities)

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ADRA2A Tclin Alpha-2a adrenergic receptor (9450 Activities)

Discover Target: ADRA2A

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

AGTR1 Tclin Type-1 angiotensin II receptor (5176 Activities)

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GSK3B Tclin Glycogen synthase kinase-3 beta (11785 Activities)

Discover Target: GSK3B

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CSNK1D Tchem Casein kinase I delta (4546 Activities)

Discover Target: CSNK1D

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S1PR1 Tclin Sphingosine 1-phosphate receptor Edg-1 (5806 Activities)

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

CDK2 Tchem Cyclin-dependent kinase 2 (9050 Activities)

Discover Target: CDK2

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GLP1R Tclin Glucagon-like peptide 1 receptor (111429 Activities)

Discover Target: GLP1R

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C5AR1 Tclin C5a anaphylatoxin chemotactic receptor (2677 Activities)

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AURKA Tchem Serine/threonine-protein kinase Aurora-A (10240 Activities)

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U2OS (164939 Activities)

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CX3CR1 Tchem C-X3-C chemokine receptor 1 (1686 Activities)

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FPR2 Tchem Lipoxin A4 receptor (3472 Activities)

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FFAR4 Tchem G-protein coupled receptor 120 (2999 Activities)

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TDP1 Tchem Tyrosyl-DNA phosphodiesterase 1 (345557 Activities)

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BRD4 Tchem Bromodomain-containing protein 4 (13122 Activities)

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GPR35 Tchem G-protein coupled receptor 35 (2643 Activities)

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TRIM24 Tchem Transcription intermediary factor 1-alpha (2087 Activities)

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BRPF1 Tchem Peregrin (2217 Activities)

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HEK-293T (167025 Activities)

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Associated Targets(non-human)

Aplnr Apelin receptor (201 Activities)

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Mapk1 MAP kinase ERK2 (650 Activities)

Discover Target: Mapk1

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Fgfr3 Fibroblast growth factor receptor 3 (21 Activities)

Discover Target: Fgfr3

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rep Replicase polyprotein 1ab (378 Activities)

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Gpr119 Glucose-dependent insulinotropic receptor (270 Activities)

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SARS-CoV-2 (38078 Activities)

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Mechanisms of Action

Chemical and Physical Properties

• Solubility: DMSO : ≥ 31 mg/mL (85.66 mM)
• Molecular Weight: 361.900 g/mol
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 361.203 Da
• Monoisotopic Mass: 361.203 Da
• Topological Polar Surface Area: 37.200 Ų
• Heavy Atom Count: 25
• Formal Charge: 0
• Complexity: 395.000
• 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: 2

XLogP3