MDK-7553
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MedKoo CAT#: 555508

CAS#: 1700637-55-3 (free base)

Description: MDK-7553, also known as CD38 inhibitor 78c and Compound-78c, is a potent CD38 inhibitor. MDK-7553 has CAS#1700637-55-3, which was reported in J Med Chem. 2015 Apr 23;58(8):3548-71. For the convenience of scientific communication, we name it as MDK-7553. The last four digits of CAS# were used for its name.


Chemical Structure

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MDK-7553
CAS# 1700637-55-3 (free base)

Theoretical Analysis

MedKoo Cat#: 555508
Name: MDK-7553
CAS#: 1700637-55-3 (free base)
Chemical Formula: C22H27N3O3S
Exact Mass: 413.18
Molecular Weight: 413.536
Elemental Analysis: C, 63.90; H, 6.58; N, 10.16; O, 11.61; S, 7.75

Price and Availability

Size Price Availability Quantity
100mg USD 1400 2 Weeks
200mg USD 2650 2 Weeks
500mg USD 3750 2 Weeks
1g USD 4950 2 Weeks
2g USD 8950 2 Weeks
Bulk inquiry

Related CAS #: 1700637-55-3 (free base)   MDK-7553 HCl    

Synonym: CD38 inhibitor 78c; Compound-78c; CD38i_78c; 78c; Cluster of Differentiation 38 Inhibitor; MDK-7553; MDK 7553; MDK7553; CD38-IN-78c; CD38 IN-78c; CD38IN-78c: CD38 inhibitor 78c;

IUPAC/Chemical Name: 4-(((1r,4r)-4-(2-methoxyethoxy)cyclohexyl)amino)-1-methyl-6-(thiazol-5-yl)quinolin-2(1H)-one

InChi Key: VJQALSOBHVEJQM-QAQDUYKDSA-N

InChi Code: InChI=1S/C22H27N3O3S/c1-25-20-8-3-15(21-13-23-14-29-21)11-18(20)19(12-22(25)26)24-16-4-6-17(7-5-16)28-10-9-27-2/h3,8,11-14,16-17,24H,4-7,9-10H2,1-2H3/t16-,17-

SMILES Code: O=C1N(C)C2=C(C=C(C3=CN=CS3)C=C2)C(N[C@H]4CC[C@H](OCCOC)CC4)=C1

Appearance: Solid powder

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: >3 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

More Info:

Biological target:
In vitro activity:
In vivo activity:

Solubility Data

Solvent Max Conc. mg/mL Max Conc. mM
Solubility
Soluble in DMSO 0.0 100.00

Preparing Stock Solutions

The following data is based on the product molecular weight 413.54 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.

Recalculate based on batch purity %
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
Formulation protocol:
In vitro protocol:
In vivo protocol:

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1: Becherer JD, Boros EE, Carpenter TY, Cowan DJ, Deaton DN, Haffner CD, Jeune
MR, Kaldor IW, Poole JC, Preugschat F, Rheault TR, Schulte CA, Shearer BG,
Shearer TW, Shewchuk LM, Smalley TL Jr, Stewart EL, Stuart JD, Ulrich JC.
Discovery of 4-Amino-8-quinoline Carboxamides as Novel, Submicromolar Inhibitors
of NAD-Hydrolyzing Enzyme CD38. J Med Chem. 2015 Sep 10;58(17):7021-56. doi:
10.1021/acs.jmedchem.5b00992. Epub 2015 Aug 24. PubMed PMID: 26267483.

2: Tarragó MG, Chini CCS, Kanamori KS, Warner GM, Caride A, de Oliveira GC, Rud
M, Samani A, Hein KZ, Huang R, Jurk D, Cho DS, Boslett JJ, Miller JD, Zweier JL,
Passos JF, Doles JD, Becherer DJ, Chini EN. A Potent and Specific CD38 Inhibitor
Ameliorates Age-Related Metabolic Dysfunction by Reversing Tissue NAD(+) Decline.
Cell Metab. 2018 May 1;27(5):1081-1095.e10. doi: 10.1016/j.cmet.2018.03.016.
PubMed PMID: 29719225; PubMed Central PMCID: PMC5935140.