Basic information
- CAS
121264-04-8- Standard SMILES
CN(C(=O)Cc1ccc(Cl)c(Cl)c1)C(CN1CCCC1)c1cccc(OCC(=O)O)c1.Cl- InChIKey
FNDGLVOYAQNQPE-UHFFFAOYSA-N- Molecular formula
- C23H27Cl3N2O4
- Average molar mass
- 501.8 g/mol
- Monoisotopic mass
- 500.10364
Overview
kappa opioid receptor agonist; structure given in first source
Names & identifiers
- Preferred name
- 2-(3-(1-((2-(3,4-Dichlorophenyl)acetyl)methylamino)-2-(1-pyrrolidinyl)ethyl)phenoxy)acetic acid hydrochloride (1:1)
- IUPAC
- 2-[3-[1-[[2-(3,4-dichlorophenyl)acetyl]-methylamino]-2-pyrrolidin-1-ylethyl]phenoxy]acetic acid;hydrochloride
- English name
- ICI 204,448 hydrochloride
- Molecular formula
- C23H27Cl3N2O4
- Molecular weight
- 501.83
Names & synonyms
121264-04-8Acetic acid, (3-(1-(((3,4-dichlorophenyl)acetyl)methylamino)-2-(1-pyrrolidinyl)ethyl)phenoxy)-, monohydrochloride, (+-)-RefChem:9092072-(3-(1-((2-(3,4-Dichlorophenyl)acetyl)methylamino)-2-(1-pyrrolidinyl)ethyl)phenoxy)acetic acid hydrochloride (1:1)2-(3-(1-((2-(3,4-dichlorophenyl)acetyl)-methylamino)-2-pyrrolidin-1-ylethyl)phenoxy)acetic acidIci 204448ICI 204,448 hydrochlorideICI-204,448 hydrochlorideIci-2044482-(3-(1-(2-(3,4-Dichlorophenyl)-N-methylacetamido)-2-(pyrrolidin-1-yl)ethyl)phenoxy)acetic acid hydrochloride2-[3-[1-[[2-(3,4-dichlorophenyl)acetyl]-methylamino]-2-pyrrolidin-1-ylethyl]phenoxy]acetic acid;hydrochlorideMLS002153186
Show more names
ICI 204ici204448448 hydrochlorideICI 204,448 hydrochlICI 204,448 hydrochloride solidICI 204448|||ICI204448|||ICI-204448ICI 204,448 HCL K-OPIOID AGONIST THAT(R,S)-(3-(1-(((3,4-Dichlorophenyl)acetyl)methylamino)-2-(1-pyrrolidinyl)ethyl)phenoxy)aceticacidhydrochloride
Properties
Computed structural properties
- Topological polar surface area
- 70.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 9
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 602
Physicochemical properties
- storage temp.
- Store at RT
- solubility
- 45 % · 45% (w/v) aq 2-hydroxypropyl-β-cyclodextrin: 12 mg/mL
- form
- solid
- color
- white
- WGK Germany
- 3 · 3
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- wgk
- 3
Chemistry & industry
Applications
UsesOpioid agonists exert a broad range of effects on the immune system ranging from inflammatory response modulation to opioid and chemokine receptor expression. ICI 204448 is a kappa-opioid receptor with antinociceptive properties.
Suppliers23 total
上海优宁维生物科技股份有限公司15921930842 15921930842 · [email protected]
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
上海冬洋生物科技有限公司0512-13601744364 13601744364 · [email protected]
武汉易泰科技有限公司上海分公司18930552037 · [email protected]
江苏艾康生物医药研发有限公司025-5885952 15955137747 · [email protected]
BOC Sciences1-631-485-4226; 16314854226 · [email protected]
上海毕得医药科技股份有限公司400-164-7117 18317119277 · [email protected]
天津普西唐生物医药科技有限公司010-60605840 · [email protected]
上海楼岚生物科技有限公司021-52996696，15000506266 15000506266
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
南通全益生物科技有限公司
Related reactions
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Compound notes
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