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188968-51-6 | Cyclo(L-arginylglycyl-L-α-aspartyl-D-phenylalanyl-N-methyl-L-valyl)
CAS No: 188968-51-6 Catalog No: AG002HLG MDL No:MFCD04307743
Product Description
Catalog Number:
AG002HLG
Chemical Name:
Cyclo(L-arginylglycyl-L-α-aspartyl-D-phenylalanyl-N-methyl-L-valyl)
CAS Number:
188968-51-6
Molecular Formula:
C27H40N8O7
Molecular Weight:
588.6559
MDL Number:
MFCD04307743
IUPAC Name:
2-[(2S,5R,8S,11S)-5-benzyl-11-[3-(diaminomethylideneamino)propyl]-7-methyl-3,6,9,12,15-pentaoxo-8-propan-2-yl-1,4,7,10,13-pentazacyclopentadec-2-yl]acetic acid
InChI:
InChI=1S/C27H40N8O7/c1-15(2)22-25(41)33-17(10-7-11-30-27(28)29)23(39)31-14-20(36)32-18(13-21(37)38)24(40)34-19(26(42)35(22)3)12-16-8-5-4-6-9-16/h4-6,8-9,15,17-19,22H,7,10-14H2,1-3H3,(H,31,39)(H,32,36)(H,33,41)(H,34,40)(H,37,38)(H4,28,29,30)/t17-,18-,19+,22-/m0/s1
InChI Key:
AMLYAMJWYAIXIA-VWNVYAMZSA-N
SMILES:
OC(=O)C[C@@H]1NC(=O)CNC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N(C(=O)[C@H](NC1=O)Cc1ccccc1)C)C(C)C
UNII:
4EDF46E4GI
Properties
Complexity:
1020
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
4
Defined Bond Stereocenter Count:
0
Exact Mass:
588.302g/mol
Formal Charge:
0
Heavy Atom Count:
42
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
7
Isotope Atom Count:
0
Molecular Weight:
588.666g/mol
Monoisotopic Mass:
588.302g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
238A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1
Literature
| Title | Journal |
|---|---|
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| RGD-conjugated gold nanorods induce radiosensitization in melanoma cancer cells by downregulating α(v)β₃ expression. | International journal of nanomedicine 20120101 |
| Fibronectin matrix-mediated cohesion suppresses invasion of prostate cancer cells. | BMC cancer 20120101 |
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| Radiation-induced modifications of the tumor microenvironment promote metastasis. | Bulletin du cancer 20110601 |
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| Cilengitide inhibits progression of experimental breast cancer bone metastases as imaged noninvasively using VCT, MRI and DCE-MRI in a longitudinal in vivo study. | International journal of cancer 20110515 |
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| Glioblastoma: changing expectations? | Clinical & translational oncology : official publication of the Federation of Spanish Oncology Societies and of the National Cancer Institute of Mexico 20110401 |
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| A meta-analysis of gemcitabine containing chemotherapy for locally advanced and metastatic pancreatic adenocarcinoma. | Journal of hematology & oncology 20110101 |
| Evaluation of treatment response of cilengitide in an experimental model of breast cancer bone metastasis using dynamic PET with 18F-FDG. | Hellenic journal of nuclear medicine 20110101 |
| Why integrin as a primary target for imaging and therapy. | Theranostics 20110101 |
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| Integrin targeted delivery of chemotherapeutics. | Theranostics 20110101 |
| Investigation of In Vivo Targeting Kinetics of α(v)β(3)-Specific Superparamagnetic Nanoprobes by Time-Resolved MRI. | Theranostics 20110101 |
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| Interaction of tumor cells with the microenvironment. | Cell communication and signaling : CCS 20110101 |
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