Leniolisib
Also known as Cdz173 free base, Cdz-173 free base, leniolisibum
Key facts
What buyers check first
- CAS number
- 1354690-24-6
- Formula
- C21H25F3N6O2
- Molar mass
- 450.47 g/mol
- HS code
- 293359
- Category
- Pharmaceuticals and APIs
What is Leniolisib?
Plain description, key identifiers and synonyms
Leniolisib is a pyridopyrimidine that is 5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine substituted by [(3S)-1-propanoylpyrrolidin-3-yl]amino and 6-methoxy-5-(trifluoromethyl)pyridin-3-yl groups at positions 4 and 6, respectively. It has a role as an EC 2.7.1.153 (phosphatidylinositol-4,5-bisphosphate 3-kinase) inhibitor and an immunomodulator. It is a tertiary carboxamide, a member of pyridines, an aromatic ether, an organofluorine compound, a member of pyrrolidines, a pyridopyrimidine and a secondary amino compound.
Identifiers
Registry numbers, names and line notations, tap to copy
- IUPAC name
- 1-[(3S)-3-[[6-[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]amino]pyrrolidin-1-yl]propan-1-one
- CAS number
- 1354690-24-6
- Molecular formula
- C21H25F3N6O2
- UNII
- L22772Z9CP
- MDL number
- MFCD30470232
- InChIKey
- MWKYMZXCGYXLPL-ZDUSSCGKSA-N
- InChI
- InChI=1S/C21H25F3N6O2/c1-3-18(31)30-6-4-13(10-30)28-19-15-11-29(7-5-17(15)26-12-27-19)14-8-16(21(22,23)24)20(32-2)25-9-14/h8-9,12-13H,3-7,10-11H2,1-2H3,(H,26,27,28)/t13-/m0/s1
- Canonical SMILES
- CCC(=O)N1CCC(Nc2ncnc3c2CN(c2cnc(OC)c(C(F)(F)F)c2)CC3)C1
- Isomeric SMILES
- CCC(=O)N1CC[C@@H](C1)NC2=NC=NC3=C2CN(CC3)C4=CC(=C(N=C4)OC)C(F)(F)F
Synonyms
- Cdz173 free base
- Cdz-173 free base
- leniolisibum
- 1-[(3S)-3-[[6-[6-methoxy-5-(trifluoromethyl)pyridin-3-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]amino]pyrrolidin-1-yl]propan-1-one
- 1-Propanone, 1-((3S)-3-((5,6,7,8-tetrahydro-6-(6-methoxy-5-(trifluoromethyl)-3-pyridinyl)pyrido(4,3-d)pyrimidin-4-yl)amino)-1-pyrrolidinyl)-
- 1-((3S)-3-((6-(6-methoxy-5-(trifluoromethyl)pyridin-3-yl)-7,8-dihydro-5H-pyrido(4,3-d)pyrimidin-4-yl)amino)pyrrolidin-1-yl)propan-1-one
- (S)-1-(3-((6-(6-methoxy-5-(trifluoromethyl)pyridin-3-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-yl)amino)pyrrolidin-1-yl)propan-1-one
- Leniolisib free base
- leniolisib (CDZ 173)
- Leniolisib (CDZ173)
- Leniolisib, CDZ173
- Leniolisib (USAN/INN)
- Leniolisib (CDZ173)?
- CDZ 173
- Example 67
- 1-{(S)-3-[6-(6-methoxy-5-trifluoromethyl-pyridin-3-yl)-5,6,7,8-tetrahydro-pyrido[4,3-d]pyrimidin-4-y
- 1-{(S)-3-[6-(6-methoxy-5-trifluoromethyl-pyridin-3-yl)-5,6,7,8-tetrahydro-pyrido[4,3-d]pyrimidin-4-ylamino]-pyrrolidin-1-yl}-propan-1-one
- US8653092, 67
- 1-((3S)-3-((6-(6-Methoxy-5-(trifluoromethyl)pyrimidin-3-yl)-5,6,7,8-tetrahydropyrido(4,3-d)pyrimidin-4-yl)amino)pyrrolidin-1-yl)propan-1-one
- 1-[(3S)-3-({6-[6-methoxy-5-(trifluoromethyl)pyridin-3-yl]-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-yl}amino)pyrrolidin-1-yl]propan-1-one
- 1-[(3S)-3-[[6-[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]amino]pyrrolidin-1-yl]propan-1-one
- 1-[(3S)-3-[[6-[6-methoxy-5-(trifluoromethyl)-3-pyridyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]amino]pyrrolidin-1-yl]propan-1-one
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 | 450.47 g/molcalc.Computed value |
|---|---|
| Exact mass | 450.1991 Dacalc.Computed value |
| LogP (octanol/water) | 2.88calc.Computed value |
| Topological polar surface area | 83.48 ร
ยฒcalc.Computed value |
| Hydrogen bond donors | 1calc.Computed value |
| Hydrogen bond acceptors | 7calc.Computed value |
| Rotatable bonds | 5calc.Computed value |
| Heavy atoms | 32calc.Computed value |
| Rings | 4calc.Computed value |
| Aromatic rings | 2calc.Computed value |
| Fraction sp3 carbons | 0.52calc.Computed value |
| Formal charge | 0calc.Computed value |
| Stereocentres | 1calc.Computed value |
| Lipinski rule of five | Passes (0 violations)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
Safety and hazards
GHS classification summary, not a safety data sheet
No GHS hazard classification is recorded for this substance yet. That does not mean it is harmless.
GHS classification summary, not a safety data sheet (SDS). Classifications can differ by supplier, grade and concentration. Always check the supplier's SDS.
Leniolisib suppliers
Sponsored listings first, then the documented ranking: membership, verification, replies, completeness, freshness and ratings
- China, ShanghaiUnclaimed profileLeniolisibGrade, purity and minimum order on requestPrice on request
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Where suppliers are based
1 supplier in 1 country
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Leniolisib 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
Pharmacological actions
- Phosphoinositide-3 Kinase Inhibitors
Roles
- antineoplastic agent
- enzyme inhibitor
- immunomodulator
- pharmaceutical
Pharmacology
Leniolisib is a Kinase Inhibitor. The mechanism of action of leniolisib is as a Phosphoinositide 3-Kinase delta Inhibitor, and Cytochrome P450 1A2 Inhibitor, and Breast Cancer Resistance Protein Inhibitor, and Organic Anion Transporting Polypeptide 1B1 Inhibitor, and Organic Anion Transporting Polypeptide 1B3 Inhibitor.
Regulatory status
Inventories, regulations and trade controls that list this substance
Health and food
- Active ingredient in FDA approved drug labels
HS code and trade data
Customs classification and reported world trade statistics
Global trade
World import and export statistics for the HS code Leniolisib is traded under.
Compounds containing a pyrimidine ring (whether or not hydrogenated) or piperazine ring, other
- Ireland43.6%
- Switzerland * partner reported26.3%
- China7.9%
- Slovenia30.3%
- United States30.1%
- Germany15.3%
* Partner reported figures, a lower bound.
The HS code shown for Leniolisib is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.
Frequently asked questions
Quick answers about Leniolisib, based on the data on this page
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Guides for buyers
Practical guides that help when you source, ship or handle Leniolisib
- 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
- Article, SourcingHow to write an RFQ that gets fast and accurate quotesWhat suppliers need to quote quickly and comparably: exact product identity, quantity and packing, delivery terms, documents, samples and payment, with a ready to use template.Read
- Guide, Trade and logisticsHS codes for chemicals and why they matterHow the Harmonized System classifies chemicals, the chapters that matter, the rules for chemically defined compounds and mixtures, and practical steps to find the right code.Read
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