Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C32H33N5O10 |
| Molecular Weight | 647.6319 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 3 / 3 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
OCC1=NC2=C(C=C3[C@H](CCC3=C2)N(CC#C)C4=CC=C(C=C4)C(=O)N[C@@H](CCC(=O)N[C@H](CCC(O)=O)C(O)=O)C(O)=O)C(=O)N1
InChI
InChIKey=NVHRBQOZEMFKLD-CUYJMHBOSA-N
InChI=1S/C32H33N5O10/c1-2-13-37(25-10-5-18-14-24-21(15-20(18)25)30(43)36-26(16-38)33-24)19-6-3-17(4-7-19)29(42)35-23(32(46)47)8-11-27(39)34-22(31(44)45)9-12-28(40)41/h1,3-4,6-7,14-15,22-23,25,38H,5,8-13,16H2,(H,34,39)(H,35,42)(H,40,41)(H,44,45)(H,46,47)(H,33,36,43)/t22-,23+,25+/m1/s1
| Molecular Formula | C32H33N5O10 |
| Molecular Weight | 647.6319 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ABSOLUTE |
| Additional Stereochemistry | No |
| Defined Stereocenters | 3 / 3 |
| E/Z Centers | 0 |
| Optical Activity | UNSPECIFIED |
Approval Year
| Substance Class |
Chemical
Created
by
admin
on
Edited
Sat Dec 16 10:53:24 UTC 2023
by
admin
on
Sat Dec 16 10:53:24 UTC 2023
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| Record UNII |
Q718FS1C7X
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| Record Status |
Validated (UNII)
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| Record Version |
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-
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501332-69-0
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135487419
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Q718FS1C7X
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DTXSID701337116
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C120550
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ONX-0801
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11325
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100000184029
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| Related Record | Type | Details | ||
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TARGET -> INHIBITOR |
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SALT/SOLVATE -> PARENT |
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ACTIVE MOIETY |
Affinity of BGC 945 for the A-FR is 70% of the high-affinity ligand folic acid. In contrast to conventional antifolates, BGC 945 has low affinity for the widely
expressed reduced-folate carrier (RFC).In contrast, BGC 945 is highly potent in a range of A-FR-overexpressing human tumor cell lines (IC50 f1-300 nmol/L). Pharmacokinetic variables measured following i.v.
injection of 100 mg/kg BGC 945 to KB tumorbearing mice
showed rapid plasma clearance (0.021 L/h) and tissue
distribution. The terminal half-lives in plasma, liver, kidney, spleen, and tumor were 2, 0.6, 5, 21, and 28 hours, respectively.
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ACTIVE MOIETY |
Originator: BTG, The Institute of Cancer Research; Developer: Onyx Pharmaceuticals, Royal Marsden NHS Foundation Trust, The Institute of Cancer Research; Class: Antineoplastic, Quinazoline; Mechanism of Action: Thymidylate synthase inhibitor; Highest Development Phase: Phase I for Solid tumours; Most Recent Events: 11 Mar 2016 Phase-I development is ongoing in United Kingdom, 01 Oct 2013 Onyx Pharmaceuticals has been acquired by Amgen, 31 Mar 2011 Onyx Pharmaceuticals completes a Phase-I trial in Solid tumours in United Kingdom (ISRCTN79302332)
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