Dalcetrapib
Also known as S-[2-[[1-(2-ethylbutyl)cyclohexanecarbonyl]amino]phenyl] 2-methylpropanethioate, dalcetrapibum, S-(2-((1-(2-ethylbutyl)cyclohexanecarbonyl)amino)phenyl) 2-methylpropanethioate
Key facts
What buyers check first
- CAS number
- 211513-37-0
- Formula
- C23H35NO2S
- Molar mass
- 389.61 g/mol
- EC number
- 816-493-8
- HS code
- 293090
- Category
- Cardiovascular and metabolic drugs
What is Dalcetrapib?
Plain description, key identifiers and synonyms
2-methylpropanethioic acid S-[2-[[[1-(2-ethylbutyl)cyclohexyl]-oxomethyl]amino]phenyl] ester is an anilide.
Identifiers
Registry numbers, names and line notations, tap to copy
- IUPAC name
- S-[2-[[1-(2-ethylbutyl)cyclohexanecarbonyl]amino]phenyl] 2-methylpropanethioate
- CAS number
- 211513-37-0 CAS number cross-checked
- EC number
- 816-493-8
- Molecular formula
- C23H35NO2S
- UNII
- 3D050LIQ3H
- MDL number
- MFCD06407886
- InChIKey
- YZQLWPMZQVHJED-UHFFFAOYSA-N
- InChI
- InChI=1S/C23H35NO2S/c1-5-18(6-2)16-23(14-10-7-11-15-23)22(26)24-19-12-8-9-13-20(19)27-21(25)17(3)4/h8-9,12-13,17-18H,5-7,10-11,14-16H2,1-4H3,(H,24,26)
- SMILES (canonical and isomeric)
- CCC(CC)CC1(CCCCC1)C(=O)NC2=CC=CC=C2SC(=O)C(C)C
Synonyms
- S-[2-[[1-(2-ethylbutyl)cyclohexanecarbonyl]amino]phenyl] 2-methylpropanethioate
- dalcetrapibum
- S-(2-((1-(2-ethylbutyl)cyclohexanecarbonyl)amino)phenyl) 2-methylpropanethioate
- S-(2-((1-(2-ethylbutyl)cyclohexane)carbonylamino)phenyl) 2-methylpropanethioate
- 1-(2-ethylbutyl)-N-(2-((2-methylpropanoyl)sulfanyl)phenyl)cyclohexane-1-carboxamide
- Dalcetrapib (JTT-705, RO4607381)
- JTT 705
- Dalcetrapib (JTT-705)
- S-[2-({[1-(2-ethylbutyl)cyclohexyl]carbonyl}amino)phenyl] 2-methylpropanethioate
- S-(2-(1-(2-ethylbutyl)cyclohexanecarboxamido)phenyl) 2-methylpropanethioate
- S-2-(1-(2-ethylbutyl)cyclohexanecarboxamido)phenyl 2-methylpropanethioate
- S-(2-(1-(2-ethylbutyl)cyclohexane-1-carboxamido)phenyl) 2-methylpropanethioate
- 2-Methylpropanethioic acid S-[2-[1-(2-ethylbutyl)cyclohexylcarboxamido]phenyl] ester
- S-{2-[1-(2-Ethylbutyl)cyclohexane-1-carboxamido]phenyl} 2-methylpropanethioate
- Dalcetrapib (USAN/INN)
- Dalcetrapib, >=97% (HPLC)
- Thioisobutyric acid S-(2-{[1-(2-ethyl-butyl)-cyclohexanecarbonyl]-amino}-phenyl) ester
- Dalcetrapib (JTT-705, RO-4607381)
- s-[2-[1-(2-ethylbutyl)cyclohexanecarbonylamino]-phenyl] 2-methylthiopropionate
- Propanethioic acid, 2-methyl-, S-(2-(((1-(2-ethylbutyl)cyclohexyl)carbonyl)amino)phenyl) ester
Physical and chemical properties
Measured values and descriptors computed from the structure
Physical and chemical properties
Measured values, check the supplier specification for your grade
No measured properties are recorded for this substance yet. Ask suppliers for a technical data sheet.
Values vary by grade. Ask suppliers for the COA or TDS of the batch you buy.
Computed descriptors
Calculated from the structure, useful for screening and formulation
| Molecular weight | 389.61 g/molcalc.Computed value |
|---|---|
| Exact mass | 389.2389 Dacalc.Computed value |
| LogP (octanol/water) | 6.68calc.Computed value |
| Topological polar surface area | 46.17 Ųcalc.Computed value |
| Hydrogen bond donors | 1calc.Computed value |
| Hydrogen bond acceptors | 3calc.Computed value |
| Rotatable bonds | 8calc.Computed value |
| Heavy atoms | 27calc.Computed value |
| Rings | 2calc.Computed value |
| Aromatic rings | 1calc.Computed value |
| Fraction sp3 carbons | 0.65calc.Computed value |
| Formal charge | 0calc.Computed value |
| Stereocentres | 0calc.Computed value |
| Lipinski rule of five | Passes (1 violation)calc.Computed value |
Calculated for screening. Confirm critical figures with the supplier.
Murcko scaffold
The ring system that remains when every side chain is removed
O=C(Nc1ccccc1)C1CCCCC1
2 rings, 15 atoms, the N-Phenylcyclohexanecarboxamide ring system.
454 other chemicals share this scaffoldSafety and hazards
GHS classification summary, not a safety data sheet
Hazard statements
- H413May cause long lasting harmful effects to aquatic life.
Precautionary statements (2)
- P273Avoid release to the environment.
- P501Dispose of contents and container in accordance with local regulations.
GHS classification summary, not a safety data sheet (SDS). Classifications can differ by supplier, grade and concentration. Always check the supplier's SDS.
Full safety data and first aidDalcetrapib suppliers
Sponsored listings first, then the documented ranking: membership, verification, replies, completeness, freshness and ratings
- United States, HaywardUnclaimed profileDalcetrapibGrade, purity and minimum order on requestPrice on request
- United States, Redwood CityUnclaimed profileDalcetrapibGrade, purity and minimum order on requestPrice on request
- GermanyUnclaimed profileDalcetrapibGrade, purity and minimum order on requestPrice on request
- Price on request
- China, WuhanUnclaimed profileDalcetrapibGrade, purity and minimum order on requestPrice on request
- United States, RestonUnclaimed profileDalcetrapibGrade, purity and minimum order on requestPrice on request
- China, ShangHaiUnclaimed profileDalcetrapibGrade, purity and minimum order on requestPrice on request
- Price on request
- Price on request
- United States, BurlingameUnclaimed profileDalcetrapibGrade, purity and minimum order on requestPrice on request
Suppliers marked Unclaimed profile have not claimed their profile yet. They are not verified by CompoundList, their offers are price on request and details may have changed, so please confirm them with the supplier. Company representatives can claim a profile with a business email on the company's own website domain. Our team verifies each claim and sends the result by email.
Where suppliers are based
20 suppliers in 5 countries
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Dalcetrapib price
Indicative price range per kg from live supplier offers
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Uses and applications
What the substance is used for, by industry and function
Industries and functions
Pharmacological actions
- Anticholesteremic Agents
Roles
- anticholesteremic drug
- antilipemic drug
- antimicrobial agent
- antiviral agent
- cardiovascular drug
- pharmaceutical
Pharmacology
Dalcetrapib is a cholesteryl ester transfer protein (CETP) inhibitor that can produce an increase in serum HDL-cholesterol levels and a decrease in serum LDL-cholesterol levels. Dalcetrapib is structurally dissimilar from other CETP inhibitors, including torcetrapib, and raises functional HDL by a different mechanism.
Regulatory status
Inventories, regulations and trade controls that list this substance
No regulatory list memberships are recorded for this substance yet. Always check the rules of the importing and exporting country before trade.
HS code and trade data
Customs classification and reported world trade statistics
Global trade
World import and export statistics for the HS code Dalcetrapib is traded under.
Organo-sulphur compounds, other
- China40.7%
- United States10.9%
- Japan9.3%
- United States13.3%
- Brazil12.6%
- China6.6%
The HS code shown for Dalcetrapib is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.
Frequently asked questions
Quick answers about Dalcetrapib, based on the data on this page
What is Dalcetrapib?
What is the CAS number of Dalcetrapib?
What is the molecular formula and weight of Dalcetrapib?
What is Dalcetrapib used for?
Is Dalcetrapib hazardous?
What is the HS code of Dalcetrapib?
Where can I buy Dalcetrapib?
What is the price of Dalcetrapib?
Guides for buyers
Practical guides that help when you source, ship or handle Dalcetrapib
- Article, QualityPharma grades explained: IP vs BP vs USP vs EPWhat the Indian, British, US and European pharmacopoeias are, how their monographs differ, what multi grade claims mean and why a grade alone does not make a product fit for medicines.Read
- Guide, SafetyHow to read a safety data sheet in 10 minutesA section by section method to pull the essentials out of any 16 section SDS: identity, hazards, composition, storage, PPE, properties, transport and emergency measures.Read
- Guide, SafetyGHS pictograms, signal words and hazard statements explainedA practical guide to the nine GHS pictograms, the signal words Danger and Warning, H and P statements, and how to read a chemical label in seconds.Read
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