C12-200 - ≥98% , CAS No.1220890-25-4

CAS: 1220890-25-4 Cat. No.: C646162 분자식: C₇₀H₁₄₅N₅O₅ 분자량: 1136.93 PubChem CID: 49785165

등급 & 순도 ≥98%

Synonyms

1,1'-((2-(4-(2-((2-(Bis(2-hydroxydodecyl)amino)ethyl)(2-hydroxydodecyl)amino)ethyl)piperazin-1-yl)ethyl)azanediyl)bis(dodecan-2-ol)

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Application

Drug Delivery, Surface Modification, PEGylation of Protein, Peptide & Oligo

개요

C12-200 is a benchmark ionizable cationic lipidoid along with helper lipids. C12-200 is commonly used for mRNA delivery.

Form:Viscous liquid

사양

동의어

1,1'-((2-(4-(2-((2-(Bis(2-hydroxydodecyl)amino)ethyl)(2-hydroxydodecyl)amino)ethyl)piperazin-1-yl)ethyl)azanediyl)bis(dodecan-2-ol)

사양 및 순도

≥98%

생화학 및 생리적 메커니즘

C12-200 is a benchmark ionizable cationic lipidoid along with helper lipids. C12-200 is commonly used for mRNA delivery.

보관 조건

Store at -20°C

배송

Ice chest + Ice pads

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순수함

≥98%

이름과 식별자

Pubchem Sid

528763647

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/528763647

정식 스마일

CCCCCCCCCCC(CN(CCN1CCN(CC1)CCN(CC(CCCCCCCCCC)O)CC(CCCCCCCCCC)O)CCN(CC(CCCCCCCCCC)O)CC(CCCCCCCCCC)O)O

IUPAC Name

1-[2-[bis(2-hydroxydodecyl)amino]ethyl-[2-[4-[2-[bis(2-hydroxydodecyl)amino]ethyl]piperazin-1-yl]ethyl]amino]dodecan-2-ol

InChIKey

RVHYPUORVDKRTM-UHFFFAOYSA-N

INCHI

1S/C70H145N5O5/c1-6-11-16-21-26-31-36-41-46-66(76)61-73(58-60-75(64-69(79)49-44-39-34-29-24-19-14-9-4)65-70(80)50-45-40-35-30-25-20-15-10-5)57-55-71-51-53-72(54-52-71)56-59-74(62-67(77)47-42-37-32-27-22-17-12-7-2)63-68(78)48-43-38-33-28-23-18-13-8-3/h66-70,76-80H,6-65H2,1-5H3

이성체 SMILES

CCCCCCCCCCC(CN(CCN1CCN(CC1)CCN(CC(CCCCCCCCCC)O)CC(CCCCCCCCCC)O)CCN(CC(CCCCCCCCCC)O)CC(CCCCCCCCCC)O)O

PubChem CID

49785165

분자량

1136.93

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• 분류: Diazinanes
• Subclass: Piperazines
• Intermediate Tree Nodes: Not available
• Direct Parent: N-alkylpiperazines
• Alternative Parents: Trialkylamines Secondary alcohols 1,2-aminoalcohols Azacyclic compounds Hydrocarbon derivatives
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: N-alkylpiperazine - Tertiary aliphatic amine - Tertiary amine - Secondary alcohol - 1,2-aminoalcohol - Azacycle - Organic nitrogen compound - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Amine - Alcohol - Aliphatic heteromonocyclic compound
• 설명: This compound belongs to the class of organic compounds known as n-alkylpiperazines. These are organic compounds containing a piperazine ring where the nitrogen ring atom carries an alkyl 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

화학 및 물리적 특성

• 용해성: DMSO : 100 mg/mL (87.96 mM; Need ultrasonic) Ethanol : 100 mg/mL (87.96 mM; Need ultrasonic)
• 분자량: 1136.900 g/mol
• XLogP3: 22.300
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 64
• Exact Mass: 1136.12 Da
• Monoisotopic Mass: 1136.12 Da
• Topological Polar Surface Area: 117.000 Ų
• Heavy Atom Count: 80
• Formal Charge: 0
• Complexity: 1160.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 5
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1