Synonym
ML753286; ML-753286; ML 753286.
IUPAC/Chemical Name
(3S,6S,12aR)-6-isobutyl-9-methoxy-3-methyl-2,3,6,7,12,12a-hexahydropyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4-dione
InChi Key
XDVXQQDQFWVCAU-MZPVMMEZSA-N
InChi Code
InChI=1S/C20H25N3O3/c1-10(2)7-16-18-14(13-6-5-12(26-4)8-15(13)22-18)9-17-19(24)21-11(3)20(25)23(16)17/h5-6,8,10-11,16-17,22H,7,9H2,1-4H3,(H,21,24)/t11-,16-,17+/m0/s1
SMILES Code
COC1=CC=C2C(NC3=C2C[C@@]4([H])N(C([C@H](C)NC4=O)=O)[C@H]3CC(C)C)=C1
Purity
>98% (or refer to the Certificate of Analysis)
Shipping Condition
Shipped under ambient temperature as non-hazardous chemical. This product is stable enough for a few weeks during ordinary shipping and time spent in Customs.
Storage Condition
Dry, dark and at 0 - 4 C for short term (days to weeks) or -20 C for long term (months to years).
Solubility
Soluble in DMSO
Shelf Life
>2 years if stored properly
Drug Formulation
This drug may be formulated in DMSO
Stock Solution Storage
0 - 4 C for short term (days to weeks), or -20 C for long term (months).
HS Tariff Code
2934.99.9001
Preparing Stock Solutions
The following data is based on the
product
molecular weight
355.44
Batch specific molecular weights may vary
from batch to batch
due to the degree of hydration, which will
affect the solvent
volumes required to prepare stock solutions.
| Concentration / Solvent Volume / Mass |
1 mg |
5 mg |
10 mg |
| 1 mM |
1.15 mL |
5.76 mL |
11.51 mL |
| 5 mM |
0.23 mL |
1.15 mL |
2.3 mL |
| 10 mM |
0.12 mL |
0.58 mL |
1.15 mL |
| 50 mM |
0.02 mL |
0.12 mL |
0.23 mL |
1: Shi P, Liao M, Chuang BC, Griffin R, Shi J, Hyer M, Fallon JK, Smith PC, Li C,
Xia CQ. Efflux transporter breast cancer resistance protein dominantly expresses
on the membrane of red blood cells, hinders partitioning of its substrates into
the cells, and alters drug-drug interaction profiles. Xenobiotica. 2017 Nov
16:1-11. doi: 10.1080/00498254.2017.1397812. [Epub ahead of print] PubMed PMID:
29098941.
2: Liao M, Chuang BC, Zhu Q, Li Y, Guan E, Yu S, Yang J, Prakash S, Xia CQ.
Preclinical absorption, distribution, metabolism, excretion and pharmacokinetics
of a novel selective inhibitor of breast cancer resistance protein (BCRP).
Xenobiotica. 2017 May 31:1-11. doi: 10.1080/00498254.2017.1328147. [Epub ahead of
print] PubMed PMID: 28485193.
