Hexadecanamide - ≥95%(GC) , CAS No.629-54-9

CAS: 629-54-9 Cat. No.: H157085 분자식: C₁₆H₃₃NO 분자량: 255.45 Beilstein Registry Number: 2(4)1182 EC 번호: 211-095-5

GRADE & PURITY ≥95%(GC)

Synonyms

n-Hexadecanamide | UNII-QX1MQ82M73 | Amide HPL | BDBM50463964 | Hexadecanamide | palmitamide (ACD/Name 4.0) | SCHEMBL43384 | Palmitic amide | H0067 | HSEMFIZWXHQJAE-UHFFFAOYSA-N | MFCD00025534 | Hexadecanoic acid amide | AS-56522 | NSC3327 | NSC-3327 | PA

Storage

Room temperature

Shipped In

Normal

Specifications

동의어

n-Hexadecanamide | UNII-QX1MQ82M73 | Amide HPL | BDBM50463964 | Hexadecanamide | palmitamide (ACD/Name 4.0) | SCHEMBL43384 | Palmitic amide | H0067 | HSEMFIZWXHQJAE-UHFFFAOYSA-N | MFCD00025534 | Hexadecanoic acid amide | AS-56522 | NSC3327 | NSC-3327 | PA

사양 및 순도

≥95%(GC)

보관 조건

Room temperature

배송

Normal

작업 유형

ACTIVATOR

순수함

≥95%(GC)

이름과 식별자

• Pubchem Sid: 504754387
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504754387
• 정식 스마일: CCCCCCCCCCCCCCCC(=O)N
• IUPAC Name: hexadecanamide
• InChIKey: HSEMFIZWXHQJAE-UHFFFAOYSA-N
• INCHI: 1S/C16H33NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h2-15H2,1H3,(H2,17,18)
• 이성체 SMILES: CCCCCCCCCCCCCCCC(=O)N
• 분자량: 255.45
• Beilstein: 2(4)1182
• Reaxy-Rn: 908003
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=908003&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • 분류 Fatty Acyls
      • Subclass Fatty amides

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• 분류: Fatty Acyls
• Subclass: Fatty amides
• Intermediate Tree Nodes: Not available
• Direct Parent: Fatty amides
• Alternative Parents: Primary carboxylic acid amides Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Fatty amide - Primary carboxylic acid amide - Carboxamide group - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Carbonyl group - Aliphatic acyclic compound
• 설명: This compound belongs to the class of organic compounds known as fatty amides. These are carboxylic acid amide derivatives of fatty acids, that are formed from a fatty acid and an amine.
• External Descriptors: a small molecule

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)

CNR1 Tclin Cannabinoid CB1 receptor (20913 Activities)

Discover Target: CNR1

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

CNR2 Tchem Cannabinoid CB2 receptor (16942 Activities)

Discover Target: CNR2

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

관련 대상(비인간)

Faah Anandamide amidohydrolase (3907 Activities)

Discover Target: Faah

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

Trpv2 Transient receptor potential cation channel subfamily V member 2 (148 Activities)

Discover Target: Trpv2

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

Rattus norvegicus (775804 Activities)

Explore this target

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

RAW264.7 (28094 Activities)

Explore this target

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

작용 메커니즘

화학 및 물리적 특성

• 끓는점(°C): 236 °C/12 mmHg
• 녹는점(°C): 106 °C
• 분자량: 255.440 g/mol
• XLogP3: 5.700
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 14
• Exact Mass: 255.256 Da
• Monoisotopic Mass: 255.256 Da
• Topological Polar Surface Area: 43.100 Ų
• Heavy Atom Count: 18
• Formal Charge: 0
• Complexity: 180.000
• 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

참고 문헌

1. Zhang Yingyi, Li Liang, Wang Qi, Shen Mei, Han Weili, Yang Xuemei, Chen Lingyun, Ma Ande, Zhou Zhengzheng.  (2019)  Simultaneous determination of metabolic and elemental markers in methamphetamine-induced hepatic injury to rats using LC-MS/MS and ICP-MS.  ANALYTICAL AND BIOANALYTICAL CHEMISTRY,  411  (15): (3361-3372).  [PMID:31119349] [10.1007/s00216-019-01810-5]

2. Baoyan Ding, Wei Meng, Xiaoling Zang, Zhihua Lv.  (2024)  Metabolic characteristics of prostate cancer cells with high metastatic potential revealed by (S)-ethyl 1-(3-(4-chlorophenoxy)-2-hydroxypropyl)-3-(4-methoxyphenyl)-1H-pyrazole-5-carboxylate inhibition.  JOURNAL OF PHARMACEUTICAL AND BIOMEDICAL ANALYSIS,      [PMID:39662125] [10.1016/j.jpba.2024.116611]