MedKoo Cat#: 563700 | Name: ACT-678689
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Description:

WARNING: This product is for research use only, not for human or veterinary use.

ACT-678689 is a potent inhibitor of tryptophan hydroxylase 1 (TPH1).

Chemical Structure

ACT-678689
ACT-678689
CAS#1783256-96-1

Theoretical Analysis

MedKoo Cat#: 563700

Name: ACT-678689

CAS#: 1783256-96-1

Chemical Formula: C23H22ClFN6O4S2

Exact Mass: 564.0817

Molecular Weight: 565.03

Elemental Analysis: C, 48.89; H, 3.92; Cl, 6.27; F, 3.36; N, 14.87; O, 11.33; S, 11.35

Price and Availability

Size Price Availability Quantity
100mg USD 1,850.00 2 Weeks
200mg USD 2,450.00 2 Weeks
500mg USD 3,450.00 2 Weeks
1g USD 4,650.00 2 Weeks
2g USD 6,450.00 2 Weeks
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Related CAS #
No Data
Synonym
ACT-678689; ACT 678689; ACT678689;
IUPAC/Chemical Name
(S)-N-(6-Chloro-5-{2-[4-(2-fluoro-4-methyl-phenyl)-2-methyl-6,7-dihydro-4H-1-thia-3,3a,5,8-tetraaza-cyclopenta[a]inden-5-yl]-2-oxo-ethoxy}-pyridin-2-yl)-methanesulfonamide
InChi Key
XGWSHBGTWKYXMM-FQEVSTJZSA-N
InChi Code
InChI=1S/C23H22ClFN6O4S2/c1-12-4-5-14(15(25)10-12)20-21-16(26-23-31(21)28-13(2)36-23)8-9-30(20)19(32)11-35-17-6-7-18(27-22(17)24)29-37(3,33)34/h4-7,10,20H,8-9,11H2,1-3H3,(H,27,29)/t20-/m0/s1
SMILES Code
CS(=O)(NC1=NC(Cl)=C(OCC(N2CCC3=C(N4C(SC(C)=N4)=N3)[C@@H]2C5=CC=C(C)C=C5F)=O)C=C1)=O
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
2934.99.03.00
More Info

Preparing Stock Solutions

The following data is based on the product molecular weight 565.03 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