Cyclo(RGDyK) - 10mM in DMSO , CAS No.250612-42-1

CAS: 250612-42-1 Cat. No.: C422862 분자식: C₃₁H₄₃F₆N₉O₁₂ 분자량: 847.72 PubChem CID: 129896716

GRADE & PURITY 10mM in DMSO

Synonyms

cyclo(L-arginylglycyl-L-α-aspartyl-D-tyrosyl-L-lysyl),2,2,2-trifluoroacetate (1:2)

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

개요

Information

Cyclo(RGDyK) Cyclo(RGDyK) is a potent and selective αVβ3 integrin inhibitor with IC50 of 20 nM.

Targets

αVβ3 integrin 20 nM

In vitro

Cyclo(RGDyK) shows high affinity and selectivity for αVβ3 over αVβ5 and αIIbβ3. Cyclo(RGDyK)-conjugated micelles (TPM) facilitated the cell-specific uptake of DiI into B16-F10 cells and HUVECs via integrin-mediated endocytosis compared with Cyclo(RGDyK) -free micelles (NPM).

In vivo

In apoE−/− mice, Cyclo(RGDyK) (1 nmol, i.v.) inhibits the increase of αVβ3 integrin expression in the intima of the left stenotic carotid artery.

Specifications

동의어

cyclo(L-arginylglycyl-L-α-aspartyl-D-tyrosyl-L-lysyl),2,2,2-trifluoroacetate (1:2)

사양 및 순도

10mM in DMSO

생화학 및 생리적 메커니즘

Cyclo(RGDyK) is a potent and selective αVβ3 integrin inhibitor with IC50 of 20 nM.

보관 조건

Store at -80°C

배송

Dry ice packs + Cold packs

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작업 유형

INHIBITOR

제품 특성

ALogP

-3.67

HBD 수

10

회전 가능한 결합

14

이름과 식별자

Pubchem Sid

528763959

정식 스마일

C1C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1)CCCN=C(N)N)CCCCN)CC2=CC=C(C=C2)O)CC(=O)O.C(=O)(C(F)(F)F)O.C(=O)(C(F)(F)F)O

IUPAC Name

2-[(2S,5R,8S,11S)-8-(4-aminobutyl)-11-[3-(diaminomethylideneamino)propyl]-5-[(4-hydroxyphenyl)methyl]-3,6,9,12,15-pentaoxo-1,4,7,10,13-pentazacyclopentadec-2-yl]acetic acid;2,2,2-trifluoroacetic acid

InChIKey

CDDUWKKOPQABPG-TVSMIREGSA-N

INCHI

1S/C27H41N9O8.2C2HF3O2/c28-10-2-1-4-18-24(42)34-17(5-3-11-31-27(29)30)23(41)32-14-21(38)33-20(13-22(39)40)26(44)36-19(25(43)35-18)12-15-6-8-16(37)9-7-15;2*3-2(4,5)1(6)7/h6-9,17-20,37H,1-5,10-14,28H2,(H,32,41)(H,33,38)(H,34,42)(H,35,43)(H,36,44)(H,39,40)(H4,29,30,31);2*(H,6,7)/t17-,18-,19+,20-;;/m0../s1

PubChem CID

129896716

분자량

847.72

화학 및 물리적 특성

• DMSO(mg/mL) 최대 용해도: 100
• DMSO(mM) 최대 용해도: 117.9634785
• 물(mg/mL) 최대 용해도: 100
• 물(mM) 최대 용해도: 117.9634785
• 분자량: 847.700 g/mol
• Hydrogen Bond Donor Count: 12
• Hydrogen Bond Acceptor Count: 20
• Rotatable Bond Count: 12
• Exact Mass: 847.294 Da
• Monoisotopic Mass: 847.294 Da
• Topological Polar Surface Area: 368.000 Ų
• Heavy Atom Count: 58
• Formal Charge: 0
• Complexity: 1130.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 4
• 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: 3

XLogP3