Iproniazid phosphate - ≥95% , CAS No.305-33-9

CAS: 305-33-9 Cat. No.: I413131 분자식: C₉H₁₆N₃O₅P 분자량: 277.21 EC 번호: 206-164-1

GRADE & PURITY ≥95%

Synonyms

HMS3372C05 | SR-01000075585-5 | DTXSID20952815 | IPRONIAZID PHOSPHATE [MI] | NSC81850 | NSC-81850 | Iproniazid as phosphate | MLS002222196 | Phosphoric acid--N'-(propan-2-yl)pyridine-4-carbohydrazide (1/1) | s10635 | 1-Isopropyl-2-isonicotinylhydrazine ph

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

개요

Information

Iproniazid phosphate Iproniazid (Marsilid, Iprazid) phosphate is a non-selective, irreversible monoamine oxidase (MAO) inhibitor (MAOI) that is used as an antidepressive agent.

Targets

MAO

Specifications

동의어

HMS3372C05 | SR-01000075585-5 | DTXSID20952815 | IPRONIAZID PHOSPHATE [MI] | NSC81850 | NSC-81850 | Iproniazid as phosphate | MLS002222196 | Phosphoric acid--N'-(propan-2-yl)pyridine-4-carbohydrazide (1/1) | s10635 | 1-Isopropyl-2-isonicotinylhydrazine ph

사양 및 순도

≥95%

생화학 및 생리적 메커니즘

Iproniazid (Marsilid, Iprazid) phosphate is a non-selective, irreversible monoamine oxidase (MAO) inhibitor (MAOI) that is used as an antidepressive agent.

보관 조건

Store at -20°C

배송

Ice chest + Ice pads

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순수함

≥95%

제품 특성

• ALogP: -0.347
• hba_count: 2
• HBD 수: 2
• 회전 가능한 결합: 3

이름과 식별자

• Pubchem Sid: 504751828
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504751828
• 정식 스마일: CC(C)NNC(=O)C1=CC=NC=C1.OP(=O)(O)O
• IUPAC Name: phosphoric acid;N'-propan-2-ylpyridine-4-carbohydrazide
• InChIKey: YPDVTKJXVHYWFY-UHFFFAOYSA-N
• INCHI: 1S/C9H13N3O.H3O4P/c1-7(2)11-12-9(13)8-3-5-10-6-4-8;1-5(2,3)4/h3-7,11H,1-2H3,(H,12,13);(H3,1,2,3,4)
• 이성체 SMILES: CC(C)NNC(=O)C1=CC=NC=C1.OP(=O)(O)O
• 분자량: 277.21
• Reaxy-Rn: 4057327
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=4057327&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• 분류: Pyridines and derivatives
• Subclass: Pyridinecarboxylic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Pyridinecarboxylic acids and derivatives
• Alternative Parents: Organic phosphoric acids and derivatives 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 - Organic phosphoric acid derivative - Heteroaromatic compound - Carboxylic acid hydrazide - Azacycle - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Aromatic heteromonocyclic compound
• 설명: 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

관련 대상(인간)

MAOB Tclin Amine oxidase [flavin-containing] B (0 Activities)

Discover Target: MAOB

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

MAOA Tclin Amine oxidase [flavin-containing] A (0 Activities)

Discover Target: MAOA

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

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

HPGD Tchem 15-hydroxyprostaglandin dehydrogenase [NAD+] (24926 Activities)

Discover Target: HPGD

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

CBX1 Tbio Chromobox protein homolog 1 (92434 Activities)

Discover Target: CBX1

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

관련 대상(비인간)

Plasmodium falciparum (966862 Activities)

Explore this target

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

작용 메커니즘

화학 및 물리적 특성

• 용해성: Solubility (25°C) In vitro DMSO: 55 mg/mL (198.4 mM); Water: 55 mg/mL (198.4 mM); Ethanol: 5 mg/mL (18.03 mM)
• 감도: Moisture sensitive
• DMSO(mg/mL) 최대 용해도: 55
• DMSO(mM) 최대 용해도: 198.405540925652
• 물(mg/mL) 최대 용해도: 55
• 물(mM) 최대 용해도: 198.405540925652
• 분자량: 277.210 g/mol
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 3
• Exact Mass: 277.083 Da
• Monoisotopic Mass: 277.083 Da
• Topological Polar Surface Area: 132.000 Ų
• Heavy Atom Count: 18
• Formal Charge: 0
• Complexity: 214.000
• 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