Hydantoin - ≥98% , CAS No.461-72-3

CAS: 461-72-3 Cat. No.: H100923 분자식: C₃H₄N₂O₂ 분자량: 100.08 Beilstein Registry Number: 110598 EC 번호: 207-313-3

등급 & 순도 ≥98%

Synonyms

HYDANTOIN [WHO-DD] | AS-10977 | Dantochlor | HYDANTOINE | EN300-18068 | Hydantoins | I6208298TA | SMR000568395 | MLS001074863 | Q418082 | Imidazole-2,4(3H,5H)-dione | Imidazole-2,5H)-dione | D70295 | NSC 9226 | UNII-I6208298TA | CHEBI:27612 | InChI=1/C3H4

Storage

Room temperature

Shipped In

Normal

개요

Reactant for synthesis of:

N-benzyl aplysinopsin analogs as anticancer agents

D-glutamic acid based inhibitors

Antidiabetic chromonyl-2,4-thiazolidinediones

GSK-3β inhibitors with brain permeability

Thiazolidinedione derivatives as 15-PGDH inhibitors

Radio-sensitizing agents

The product has been used as a substrate (at 40 °C and pH 9.0) to determine the D-hydantoinase activity in adzuki bean extract.

사양

동의어

HYDANTOIN [WHO-DD] | AS-10977 | Dantochlor | HYDANTOINE | EN300-18068 | Hydantoins | I6208298TA | SMR000568395 | MLS001074863 | Q418082 | Imidazole-2,4(3H,5H)-dione | Imidazole-2,5H)-dione | D70295 | NSC 9226 | UNII-I6208298TA | CHEBI:27612 | InChI=1/C3H4

사양 및 순도

≥98%

보관 조건

Room temperature

배송

Normal

순수함

≥98%

이름과 식별자

Pubchem Sid

488181073

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488181073

정식 스마일

C1C(=O)NC(=O)N1

IUPAC Name

imidazolidine-2,4-dione

InChIKey

WJRBRSLFGCUECM-UHFFFAOYSA-N

INCHI

1S/C3H4N2O2/c6-2-1-4-3(7)5-2/h1H2,(H2,4,5,6,7)

이성체 SMILES

C1C(=O)NC(=O)N1

WGK 독일

3

RTECS

MT8210000

분자량

100.08

Beilstein

110598

Reaxy-Rn

110598

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=110598&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • 분류 Azoles
      • Subclass Imidazoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• 분류: Azoles
• Subclass: Imidazoles
• Intermediate Tree Nodes: Not available
• Direct Parent: Imidazoles
• Alternative Parents: Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Hydrocarbon derivatives
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Imidazole - Azacycle - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Aliphatic heteromonocyclic compound
• 설명: This compound belongs to the class of organic compounds known as imidazoles. These are compounds containing an imidazole ring, which is an aromatic five-member ring with two nitrogen atoms at positions 1 and 3, and three carbon atoms.
• External Descriptors: an imidazolidine

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)

SIGMAR1 Tclin Sigma non-opioid intracellular receptor 1 (1 Activities)

Discover Target: SIGMAR1

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

화학 및 물리적 특성

• 용해성: Slightly soluble in water, freely soluble in methanol, ethanol, acetic acid and aqueous alkaline solutions, and slightly soluble in diethyl ether.
• 녹는점(°C): 218-223°C
• 분자량: 100.080 g/mol
• XLogP3: -1.700
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 100.027 Da
• Monoisotopic Mass: 100.027 Da
• Topological Polar Surface Area: 58.200 Ų
• Heavy Atom Count: 7
• Formal Charge: 0
• Complexity: 120.000
• 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