Drug Information

Drug General Information
Drug ID
D0N9NA
Former ID
DNC006389
Drug Name
Cypate-[(RGD)4-NH2]2
Indication Discovery agent Investigative [528111]
Structure
Download
2D MOL

3D MOL
Formula
C136H201N52O42+
Canonical SMILES
CC1(C(=[N+](C2=C1C3=CC=CC=C3C=C2)CC(=O)NC(CCCN=C(N)N)C(<br />=O)NCC(=O)NC(CC(=O)O)C(=O)NC(CCCN=C(N)N)C(=O)NCC(=O)NC(<br />CC(=O)O)C(=O)NC(CCCN=C(N)N)C(=O)NCC(=O)NC(CC(=O)NC(CCCN<br />=C(N)N)C(=O)NCC(=O)NC(CC(=O)O)C(=O)N)C(=O)O)C=CC=CC=CC=<br />C4C(C5=C(N4CCC(=O)NC(CCCN=C(N)N)C(=O)NCC(=O)NC(CC(=O)O)<br />C(=O)NC(CCCN=C(N)N)C(=O)NCC(=O)NC(CC(=O)O)C(=O)NC(CCCN=<br />C(N)N)C(=O)NCC(=O)NC(CC(=O)NC(CCCN=C(N)N)C(=O)NCC(=O)NC<br />(CC(=O)O)C(=O)N)C(=O)O)C=CC6=CC=CC=C65)(C)C)C
InChI
1S/C136H200N52O42/c1-135(2)89(187(87-38-36-67-22-10-12-24-69(67)109(87)135)49-40-91(189)171-71(26-14-41-155-127(139)140)113(215)165-60-96(194)177-81(54-105(205)206)121(223)183-75(30-18-45-159-131(147)148)117(219)167-62-98(196)179-83(56-107(209)210)123(225)185-77(32-20-47-161-133(151)152)119(221)169-64-100(198)181-85(125(227)228)50-92(190)172-72(27-15-42-156-128(141)142)114(216)163-58-94(192)175-79(111(137)213)52-103(201)202)34-8-6-5-7-9-35-90-136(3,4)110-70-25-13-11-23-68(70)37-39-88(110)188(90)66-102(200)174-74(29-17-44-158-130(145)146)116(218)166-61-97(195)178-82(55-106(207)208)122(224)184-76(31-19-46-160-132(149)150)118(220)168-63-99(197)180-84(57-108(211)212)124(226)186-78(33-21-48-162-134(153)154)120(222)170-65-101(199)182-86(126(229)230)51-93(191)173-73(28-16-43-157-129(143)144)115(217)164-59-95(193)176-80(112(138)214)53-104(203)204/h5-13,22-25,34-39,71-86H,14-21,26-33,40-66H2,1-4H3,(H67-,137,138,139,140,141,142,143,144,145,146,147,148,149,150,151,152,153,154,155,156,157,158,159,160,161,162,163,164,165,166,167,168,169,170,171,172,173,174,175,176,177,178,179,180,181,182,183,184,185,186,189,190,191,192,193,194,195,196,197,198,199,200,201,202,203,204,205,206,207,208,209,210,211,212,213,214,215,216,217,218,219,220,221,222,223,224,225,226,227,228,229,230)/p+1/t71-,72-,73-,74-,75-,76-,77-,78-,79+,80+,81+,82+,83+,84+,85+,86+/m0/s1
InChIKey
ZQQKMIYGRGPTIR-LKERAZDISA-O
PubChem Compound ID
44409471
Target and Pathway
Target(s) mRNA of integrin beta 3 Target Info Inhibitor [528111]
Integrin alpha-V Target Info Inhibitor [528111]
KEGG Pathway Rap1 signaling pathway
Phagosome
PI3K-Akt signaling pathway
Osteoclast differentiation
Focal adhesion
ECM-receptor interaction
Platelet activation
Hematopoietic cell lineage
Regulation of actin cytoskeleton
Thyroid hormone signaling pathway
Proteoglycans in cancer
MicroRNAs in cancer
Hypertrophic cardiomyopathy (HCM)
Arrhythmogenic right ventricular cardiomyopathy (ARVC)
Dilated cardiomyopathyhsa04145:Phagosome
Cell adhesion molecules (CAMs)
Pathways in cancer
Small cell lung cancer
Dilated cardiomyopathy
NetPath Pathway Leptin Signaling Pathway
PANTHER Pathway Integrin signalling pathway
CCKR signaling map ST
Pathway Interaction Database IL4-mediated signaling events
Integrin family cell surface interactions
Signaling events mediated by PTP1B
Beta3 integrin cell surface interactions
S1P3 pathway
Osteopontin-mediated events
Nectin adhesion pathway
Arf6 signaling events
S1P1 pathway
Integrins in angiogenesis
Urokinase-type plasminogen activator (uPA) and uPAR-mediated signaling
PDGFR-beta signaling pathway
Signaling events mediated by VEGFR1 and VEGFR2
Ephrin B reverse signalingintegrin1_pathway:Beta1 integrin cell surface interactions
Arf6 trafficking events
CXCR4-mediated signaling events
Plexin-D1 Signaling
PDGFR-alpha signaling pathway
Beta5 beta6 beta7 and beta8 integrin cell surface interactions
Signaling events mediated by focal adhesion kinase
Reactome Platelet degranulation
Elastic fibre formation
PECAM1 interactions
Molecules associated with elastic fibres
Integrin cell surface interactions
Syndecan interactions
ECM proteoglycans
Integrin alphaIIb beta3 signaling
GRB2:SOS provides linkage to MAPK signaling for Integrins
p130Cas linkage to MAPK signaling for integrins
VEGFA-VEGFR2 Pathway
MAP2K and MAPK activationR-HSA-1236973:Cross-presentation of particulate exogenous antigens (phagosomes)
Laminin interactions
WikiPathways Monoamine Transport
TGF beta Signaling Pathway
Osteoblast Signaling
Focal Adhesion
Hematopoietic Stem Cell Differentiation
Human Complement System
Syndecan interactions
Extracellular matrix organization
Elastic fibre formation
Primary Focal Segmental Glomerulosclerosis FSGS
Arrhythmogenic Right Ventricular Cardiomyopathy
Integrin-mediated Cell Adhesion
L1CAM interactions
Integrin cell surface interactions
Integrin alphaIIb beta3 signaling
Cell surface interactions at the vascular wall
Serotonin Transporter Activity
Osteopontin Signaling
Osteoclast SignalingWP322:Osteoblast Signaling
Class I MHC mediated antigen processing & presentation
References
Ref 528111J Med Chem. 2006 Apr 6;49(7):2268-75.Design, synthesis, and evaluation of near infrared fluorescent multimeric RGD peptides for targeting tumors.
Ref 528111J Med Chem. 2006 Apr 6;49(7):2268-75.Design, synthesis, and evaluation of near infrared fluorescent multimeric RGD peptides for targeting tumors.

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