E (c (RGDfK) ) 2

CAT: 0804-HY-P5098-01Size: 5 mgDry Ice: NoHazardous: No

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Description

E (c (RGDfK) ) is an αvβ3 integrin-specific binding moiety with tumor targeting properties. Increased uptake of E (c (RGDfK) ) in human ovarian cancer OVCAR-3 xenograft tumors may be useful in cancer research[1].

CAS Number

250612-47-6

UNSPSC

12352209

Target

Integrin

Type

Peptides

Related Pathways

Cytoskeleton

Applications

Cancer-programmed cell death

Field of Research

Cancer

Assay Protocol

https://www.medchemexpress.com/e-c-rgdfk.html

Purity

99.82

Solubility

DMSO : ≥ 100 mg/mL

Smiles

O=C(N[C@H](C(N[C@H](C(NCC(N[C@H](C(N1)=O)CC(O)=O)=O)=O)CCCNC(N)=N)=O)CCCCNC([C@@H](N)CCC(NCCCC[C@@H]2NC([C@H](NC([C@@H](NC(CNC([C@@H](NC2=O)CCCNC(N)=N)=O)=O)CC(O)=O)=O)CC3=CC=CC=C3)=O)=O)=O)[C@H]1CC4=CC=CC=C4

Molecular Formula

C59H87N19O16

Molecular Weight

1318.44

References & Citations

[1]Polyak D, et al. Development of PEGylated doxorubicin‐E‐[c (RGDfK) 2] conjugate for integrin‐targeted cancer therapy[J]. Polymers for Advanced Technologies, 2011, 22 (1) : 103-113.

Shipping Conditions

Blue Ice

Storage Conditions

-80°C, 2 years; -20°C, 1 year (Powder, sealed storage, away from moisture)

Scientific Category

Peptides

Clinical Information

No Development Reported

Chemical Information

E(c(RGDfK))2

CAS Number	250612-47-6
PubChem CID	59045268
IUPAC Name	2-[(2S,5R,8S,11S)-8-[4-[[(4S)-4-amino-5-[4-[(2S,5S,11S,14R)-14-benzyl-11-(carboxymethyl)-5-[3-(diaminomethylideneamino)propyl]-3,6,9,12,15-pentaoxo-1,4,7,10,13-pentazacyclopentadec-2-yl]butylamino]-5-oxopentanoyl]amino]butyl]-5-benzyl-11-[3-(diaminomethylideneamino)propyl]-3,6,9,12,15-pentaoxo-1,4,7,10,13-pentazacyclopentadec-2-yl]acetic acid
Molecular Formula	C59H87N19O16
Molecular Weight	1318.4
XLogP	-7.3
Topological Polar Surface Area	579
Hydrogen Bond Donor Count	19
Hydrogen Bond Acceptor Count	19
Rotatable Bond Count	30
Heavy Atom Count	94
Formal Charge	0
Complexity	2680

SMILES

C1C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N1)CCCN=C(N)N)CCCCNC(=O)CC[C@@H](C(=O)NCCCC[C@H]2C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N[C@@H](C(=O)N2)CC3=CC=CC=C3)CC(=O)O)CCCN=C(N)N)N)CC4=CC=CC=C4)CC(=O)O

InChI

InChI=1S/C59H87N19O16/c60-35(49(86)66-24-10-8-18-39-53(90)74-37(20-12-26-68-59(63)64)51(88)70-32-46(81)72-43(30-48(84)85)57(94)78-41(55(92)76-39)28-34-15-5-2-6-16-34)21-22-44(79)65-23-9-7-17-38-52(89)73-36(19-11-25-67-58(61)62)50(87)69-31-45(80)71-42(29-47(82)83)56(93)77-40(54(91)75-38)27-33-13-3-1-4-14-33/h1-6,13-16,35-43H,7-12,17-32,60H2,(H,65,79)(H,66,86)(H,69,87)(H,70,88)(H,71,80)(H,72,81)(H,73,89)(H,74,90)(H,75,91)(H,76,92)(H,77,93)(H,78,94)(H,82,83)(H,84,85)(H4,61,62,67)(H4,63,64,68)/t35-,36-,37-,38-,39-,40+,41+,42-,43-/m0/s1

InChIKey

HBRYUNRKUGWZGH-LMKMLFLWSA-N

Chemical Structure

2D Structure

CAS: 250612-47-6

CID: 59045268

Formula: C59H87N19O16

MW: 1318.4

Interactive 3D Structure

Loading 3D structure...

View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	1318.4
XLogP3	-7.3
Hydrogen Bond Donor Count	19
Hydrogen Bond Acceptor Count	19
Rotatable Bond Count	30
Exact Mass	1317.65781776
Monoisotopic Mass	1317.65781776
Topological Polar Surface Area	579 Å²
Heavy Atom Count	94
Formal Charge	0
Complexity	2680
Isotope Atom Count	0
Defined Atom Stereocenter Count	9
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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E (c (RGDfK) ) 2

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