HEC72702

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MedKoo CAT#: 561895

CAS#: 1793063-59-8 (free base)

Description: HEC72702 is a novel Hepatitis B virus capsid inhibitor, based on clinical candidate GLS4. HEC72702 was found to display no induction of the CYP1A2, CYP3A4, or CYP2B6 enzyme at the high concentration of 10 μM. In particular, it demonstrated a good systemic exposure and high oral bioavailability and achieved a viral-load reduction greater than 2 log in a hydrodynamic-injected (HDI) HBV mouse model. HEC72702 has now been selected for further development.

Chemical Structure

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HEC72702
CAS# 1793063-59-8 (free base)
Instruction

Theoretical Analysis

MedKoo Cat#: 561895
Name: HEC72702
CAS#: 1793063-59-8 (free base)
Chemical Formula: C24H26BrFN4O5S
Exact Mass: 580.08
Molecular Weight: 581.460
Elemental Analysis: C, 49.58; H, 4.51; Br, 13.74; F, 3.27; N, 9.64; O, 13.76; S, 5.51

Price and Availability

This product is not in stock, which may be available by custom synthesis. For cost-effective reason, minimum order is 1g (price is usually high, lead time is 2~3 months, depending on the technical challenge). Quote less than 1g will not be provided. To request quote, please email to sales @medkoo.com or click below button.
Note: Price will be listed if it is available in the future.

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Related CAS #: 1793063-59-8 (free base)   2157509-77-6 (HCl)   2157509-73-2 (mesylate)   2157509-72-1 (citrate)  

Synonym: HEC72702; HEC-72702; HEC 72702

IUPAC/Chemical Name: 3-((R)-4-(((R)-6-(2-bromo-4-fluorophenyl)-5-(ethoxycarbonyl)-2-(thiazol-2-yl)-3,6-dihydropyrimidin-4-yl)methyl)morpholin-2-yl)propanoic acid

InChi Key: ILFIXUVIBJYIDE-VFNWGFHPSA-N

InChi Code: InChI=1S/C24H26BrFN4O5S/c1-2-34-24(33)20-18(13-30-8-9-35-15(12-30)4-6-19(31)32)28-22(23-27-7-10-36-23)29-21(20)16-5-3-14(26)11-17(16)25/h3,5,7,10-11,15,21H,2,4,6,8-9,12-13H2,1H3,(H,28,29)(H,31,32)/t15-,21+/m1/s1

SMILES Code: O=C(OCC)C1=C(NC(C2=NC=CS2)=N[C@H]1C3=C(Br)C=C(F)C=C3)CN4CCO[C@H](CCC(O)=O)C4

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: >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

More Info:

Biological target:
In vitro activity:
In vivo activity:

Preparing Stock Solutions

The following data is based on the product molecular weight 581.46 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: Ren Q, Liu X, Yan G, Nie B, Zou Z, Li J, Chen Y, Wei Y, Huang J, Luo Z, Gu B, Goldmann S, Zhang J, Zhang Y. 3-((R)-4-(((R)-6-(2-Bromo-4-fluorophenyl)-5-(ethoxycarbonyl)-2-(thiazol-2-yl)-3,6-dihydropyrimidin-4-yl)methyl)morpholin-2-yl)propanoic Acid (HEC72702), a Novel
Hepatitis B Virus Capsid Inhibitor Based on Clinical Candidate GLS4. J Med Chem. 2018 Jan 30. doi: 10.1021/acs.jmedchem.7b01914. [Epub ahead of print] PubMed PMID: 29381358.