200,000+ products from a single source!
sales@angenechem.com
Home > Other Building Blocks > 123884-00-4
123884-00-4 | L-Proline, N,N-dimethyl-L-valyl-L-valyl-N-methyl-L-valyl-L-prolyl-, (1S)-1-[[(2S)-2,5-dihydro-3-methoxy-5-oxo-2-(phenylmethyl)-1H-pyrrol-1-yl]carbonyl]-2-methylpropyl ester
CAS No: 123884-00-4 Catalog No: AG000L75 MDL No:
Product Description
Catalog Number:
AG000L75
Chemical Name:
L-Proline, N,N-dimethyl-L-valyl-L-valyl-N-methyl-L-valyl-L-prolyl-, (1S)-1-[[(2S)-2,5-dihydro-3-methoxy-5-oxo-2-(phenylmethyl)-1H-pyrrol-1-yl]carbonyl]-2-methylpropyl ester
CAS Number:
123884-00-4
Molecular Formula:
C45H68N6O9
Molecular Weight:
837.0562
IUPAC Name:
[(2S)-1-[(2S)-2-benzyl-3-methoxy-5-oxo-2H-pyrrol-1-yl]-3-methyl-1-oxobutan-2-yl] (2S)-1-[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-(dimethylamino)-3-methylbutanoyl]amino]-3-methylbutanoyl]-methylamino]-3-methylbutanoyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carboxylate
InChI:
InChI=1S/C45H68N6O9/c1-26(2)36(46-40(53)37(27(3)4)47(9)10)42(55)48(11)38(28(5)6)43(56)49-22-16-20-31(49)41(54)50-23-17-21-32(50)45(58)60-39(29(7)8)44(57)51-33(34(59-12)25-35(51)52)24-30-18-14-13-15-19-30/h13-15,18-19,25-29,31-33,36-39H,16-17,20-24H2,1-12H3,(H,46,53)/t31-,32-,33-,36-,37-,38-,39-/m0/s1
InChI Key:
LQKSHSFQQRCAFW-CCVNJFHASA-N
SMILES:
COC1=CC(=O)N([C@H]1Cc1ccccc1)C(=O)[C@H](C(C)C)OC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@@H](N(C(=O)[C@H](C(C)C)NC(=O)[C@@H](N(C)C)C(C)C)C)C(C)C
UNII:
J9ZKS885H5
Properties
Complexity:
1600
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
7
Defined Bond Stereocenter Count:
0
Exact Mass:
836.505g/mol
Formal Charge:
0
Heavy Atom Count:
60
Hydrogen Bond Acceptor Count:
10
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
837.072g/mol
Monoisotopic Mass:
836.505g/mol
Rotatable Bond Count:
18
Topological Polar Surface Area:
166A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.7
Literature
| Title | Journal |
|---|---|
| Dolastatin 15, a mollusk linear peptide, and Celecoxib, a selective cyclooxygenase-2 inhibitor, prevent preneoplastic colonic lesions and induce apoptosis through inhibition of the regulatory transcription factor NF-κB and an inflammatory protein, iNOS. | European journal of cancer prevention : the official journal of the European Cancer Prevention Organisation (ECP) 20121101 |
| Targeting HER2-positive cancer with dolastatin 15 derivatives conjugated to trastuzumab, novel antibody-drug conjugates. | Cancer chemotherapy and pharmacology 20120901 |
| Intracellular activation and deactivation of tasidotin, an analog of dolastatin 15: correlation with cytotoxicity. | Molecular pharmacology 20090101 |
| Tetramic and tetronic acids: an update on new derivatives and biological aspects. | Bioorganic & medicinal chemistry 20080415 |
| Hybrids of the hemiasterlin analogue taltobulin and the dolastatins are potent antimicrotubule agents. | Journal of the American Chemical Society 20051221 |
| Dolastatin 15 binds in the vinca domain of tubulin as demonstrated by Hummel-Dreyer chromatography. | European journal of biochemistry 20030901 |
| Diazonamide A and a synthetic structural analog: disruptive effects on mitosis and cellular microtubules and analysis of their interactions with tubulin. | Molecular pharmacology 20030601 |
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.