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Details

Stereochemistry ABSOLUTE
Molecular Formula C25H30BrN7O5S
Molecular Weight 620.5202
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of MPC-0767

SMILES

C[C@@]([H])(C(=O)O[C@@]([H])(C)C(=O)N1CCC(CC1)CCn2c3c(c(N)ncn3)nc2Sc4cc5c(cc4Br)OCO5)N

InChI

InChIKey=SWZWQKKFNJGOQM-KBPBESRZSA-N
InChI=1S/C25H30BrN7O5S/c1-13(27)24(35)38-14(2)23(34)32-6-3-15(4-7-32)5-8-33-22-20(21(28)29-11-30-22)31-25(33)39-19-10-18-17(9-16(19)26)36-12-37-18/h9-11,13-15H,3-8,12,27H2,1-2H3,(H2,28,29,30)/t13-,14-/m0/s1

HIDE SMILES / InChI

Molecular Formula C25H30BrN7O5S
Molecular Weight 620.5202
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

MPC-3100 is a fully synthetic, orally bioavailable, Hsp90 inhibitor developed by Myriad Pharmaceuticals, Inc for cancer treatment. MPC-3100 targets the N-terminal ATP-binding site of Hsp90 and blocks the activity of ATPase. MPC-3100 shows a broad spectrum anti-proliferative activity against various cancer cell lines, such as HCT-116, NCI-N87 and DU-145. MPC-3100 also inhibits tumor growth in the NCI-N87 gastric cancer xenograft mode. Moreover, pharmacokinetics studies show that MPC-3100 displays a superior oral pharmacokinetics profile, good overall exposure and a reasonable hepatic clearance rate. Phase I clinical studies demonstrate MPC-3100 is safe and tolerated when administered at doses below 600 mg per day

Approval Year

PubMed

PubMed

TitleDatePubMed
HSP90 inhibitors: current development and potential in cancer therapy.
2014 Jan
Patents

Sample Use Guides

600 mg oral daily dose for 21 days in a 28-day cycle
Route of Administration: Oral
Substance Class Chemical
Created
by admin
on Sat Jun 26 02:58:23 UTC 2021
Edited
by admin
on Sat Jun 26 02:58:23 UTC 2021
Record UNII
0K6G1O9YKM
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
MPC-0767
Code English
L-ALANINE, (1S)-2-(4-(2-(6-AMINO-8-((6-BROMO-1,3-BENZODIOXOL-5-YL)THIO)-9H-PURIN-9-YL)ETHYL)-1-PIPERIDINYL)-1-METHYL-2-OXOETHYL ESTER
Systematic Name English
(S)-1-(4-(2-(6-AMINO-8-((6-BROMOBENZO(D)(1,3)DIOXOL-5-YL)THIO)- 9H-PURIN-9-YL)ETHYL)PIPERIDIN-1-YL)-1-OXOPROPAN-2-YL L-ALANINATE
Systematic Name English
Code System Code Type Description
CAS
1310540-31-8
Created by admin on Sat Jun 26 02:58:23 UTC 2021 , Edited by admin on Sat Jun 26 02:58:23 UTC 2021
PRIMARY
FDA UNII
0K6G1O9YKM
Created by admin on Sat Jun 26 02:58:23 UTC 2021 , Edited by admin on Sat Jun 26 02:58:23 UTC 2021
PRIMARY
PUBCHEM
70674083
Created by admin on Sat Jun 26 02:58:23 UTC 2021 , Edited by admin on Sat Jun 26 02:58:23 UTC 2021
PRIMARY
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SALT/SOLVATE -> PARENT
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ACTIVE MOIETY