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Home > Fluorides > 1140909-48-3
1140909-48-3 | Butanedioic acid, 2-hydroxy-, (2S)-, compd. with N-[4-[(6,7-dimethoxy-4-quinolinyl)oxy]phenyl]-N'-(4-fluorophenyl)-1,1-cyclopropanedicarboxamide (1:1)
CAS No: 1140909-48-3 Catalog No: AG000AJ8 MDL No:MFCD20923480
Product Description
Catalog Number:
AG000AJ8
Chemical Name:
Butanedioic acid, 2-hydroxy-, (2S)-, compd. with N-[4-[(6,7-dimethoxy-4-quinolinyl)oxy]phenyl]-N'-(4-fluorophenyl)-1,1-cyclopropanedicarboxamide (1:1)
CAS Number:
1140909-48-3
Molecular Formula:
C32H30FN3O10
Molecular Weight:
635.5931
MDL Number:
MFCD20923480
IUPAC Name:
1-N-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-1-N'-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide;(2S)-2-hydroxybutanedioic acid
InChI:
InChI=1S/C28H24FN3O5.C4H6O5/c1-35-24-15-21-22(16-25(24)36-2)30-14-11-23(21)37-20-9-7-19(8-10-20)32-27(34)28(12-13-28)26(33)31-18-5-3-17(29)4-6-18;5-2(4(8)9)1-3(6)7/h3-11,14-16H,12-13H2,1-2H3,(H,31,33)(H,32,34);2,5H,1H2,(H,6,7)(H,8,9)/t;2-/m.0/s1
InChI Key:
HFCFMRYTXDINDK-WNQIDUERSA-N
SMILES:
OC(=O)C[C@@H](C(=O)O)O.COc1cc2nccc(c2cc1OC)Oc1ccc(cc1)NC(=O)C1(CC1)C(=O)Nc1ccc(cc1)F
UNII:
DR7ST46X58
Properties
Complexity:
924
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
635.192g/mol
Formal Charge:
0
Heavy Atom Count:
46
Hydrogen Bond Acceptor Count:
12
Hydrogen Bond Donor Count:
5
Isotope Atom Count:
0
Molecular Weight:
635.601g/mol
Monoisotopic Mass:
635.192g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
194A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Literature
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|---|---|
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| Activity of XL184 (Cabozantinib), an oral tyrosine kinase inhibitor, in patients with medullary thyroid cancer. | Journal of clinical oncology : official journal of the American Society of Clinical Oncology 20110701 |
| Activated MET is a molecular prognosticator and potential therapeutic target for malignant peripheral nerve sheath tumors. | Clinical cancer research : an official journal of the American Association for Cancer Research 20110615 |
| The effects of four different tyrosine kinase inhibitors on medullary and papillary thyroid cancer cells. | The Journal of clinical endocrinology and metabolism 20110601 |
| XL184 (cabozantinib) for medullary thyroid carcinoma. | Expert opinion on investigational drugs 20110301 |
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