RepSox
Also known as SJN 2511, 2-(3-(6-Methylpyridin-2-yl)-1H-pyrazol-4-yl)-1,5-naphthyridine, ALK5 Inhibitor II
Key facts
What buyers check first
- CAS number
- 446859-33-2
- Formula
- C17H13N5
- Molar mass
- 287.33 g/mol
- EC number
- 663-924-9
- HS code
- 293339
- Category
- Heterocyclic building blocks
What is RepSox?
Plain description, key identifiers and synonyms
RepSox is a member of the class of pyrazoles that is 1H-pyrazole substituted by 6-methylpyridin-2-yl and 1,5-naphthyridin-2-yl groups at positions 3 and 4, respectively. It is a potent and selective inhibitor of TGF-beta R1 kinase (IC50 = 4 nM) and ALK5 autophosphorylation and binding (IC50 = 23 nM). It has a role as an antineoplastic agent, a bone density conservation agent, an EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor and a TGFbeta receptor antagonist. It is a member of pyrazoles, a member of pyridines and a 1,5-naphthyridine derivative.
Identifiers
Registry numbers, names and line notations, tap to copy
- IUPAC name
- 2-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]-1,5-naphthyridine
- CAS number
- 446859-33-2 CAS number cross-checked
- EC number
- 663-924-9
- Molecular formula
- C17H13N5
- UNII
- JT8ZW3H2ST
- MDL number
- MFCD09037561
- InChIKey
- LBPKYPYHDKKRFS-UHFFFAOYSA-N
- InChI
- InChI=1S/C17H13N5/c1-11-4-2-5-16(20-11)17-12(10-19-22-17)13-7-8-14-15(21-13)6-3-9-18-14/h2-10H,1H3,(H,19,22)
- SMILES (canonical and isomeric)
- CC1=NC(=CC=C1)C2=C(C=NN2)C3=NC4=C(C=C3)N=CC=C4
Synonyms
- SJN 2511
- 2-(3-(6-Methylpyridin-2-yl)-1H-pyrazol-4-yl)-1,5-naphthyridine
- ALK5 Inhibitor II
- ALK5 Inhibitor
- 2-[5-(6-methylpyridin-2-yl)-1H-pyrazol-4-yl]-1,5-naphthyridine
- Alk 5 Inhibitor II
- RepSox (GMP)
- 2-[3-(6-Methyl-2-pyridinyl)-1H-pyrazol-4-yl]-1,5-naphthyridine
- 1,5-Naphthyridine, 2-[3-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]-
- 2-(3-(6-Methylpyridine-2-yl)-1H-pyrazol-4-yl)-1,5-naphthyridine
- 2-[3-(6-methylpyridin-2-yl)-1H-pyrazol-4-yl]-1,5-naphthyridine
- 2-(3-(6-methyl-2-pyridinyl)-1h-pyrazol-4-yl)-1,5-naphthyridine
- 1vjy
- 2-[3-(6-Methyl-2-pyridinyl)-1H-pyrazol-4-yl]-1,5-naphthyridine, E 616452, RepSox, SJN 2511
- RepsoxALK5 Inhibitor II
- RepsoxALK5 Inhibitor II?
- RepSox (ALK5 Inhibitor II)
- RepSox (E-616452)
- RepSox, >=98% (HPLC)
- Sdccggsk-0000063.p001
- GW786460X (616452)
- 4-(1,5-Diaza-2-naphthyl)-3-(6-methyl-2-pyridyl)pyrazole
- 2-[3-(6-Methyl-2-pyridyl)-4-pyrazolyl]-1,5-naphthyridine
- 2-[5-(6-methyl-2-pyridyl)-1H-pyrazol-4-yl]-1,5-naphthyridine
- 2-(3-(6-Methylpyridine-2-yl)-1H-pyr azol-4-yl)-1,5-naphthyridine
Show all 28 synonymsShow fewer synonyms
- 2-[3-(6-Methyl-pyridin-2-yl)-1H-pyrazol-4-yl]-[1,5]naphthyridine
- Alk 5 Inhibitor II (2-[3-(6-Methyl-2-pyridinyl)-1H-pyrazol-4-yl]-1,5-naphthyridine)
- TGF-beta RI kinase inhibitor II (2-[3-(6-Methyl-2-pyridinyl)-1H-pyrazol-4-yl]-1,5-naphthyridine)
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 | 287.33 g/molcalc.Computed value |
|---|---|
| Exact mass | 287.1171 Dacalc.Computed value |
| LogP (octanol/water) | 3.39calc.Computed value |
| Topological polar surface area | 67.35 ร
ยฒcalc.Computed value |
| Hydrogen bond donors | 1calc.Computed value |
| Hydrogen bond acceptors | 4calc.Computed value |
| Rotatable bonds | 2calc.Computed value |
| Heavy atoms | 22calc.Computed value |
| Rings | 4calc.Computed value |
| Aromatic rings | 4calc.Computed value |
| Fraction sp3 carbons | 0.06calc.Computed value |
| Formal charge | 0calc.Computed value |
| Stereocentres | 0calc.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
c1ccc(-c2[nH]ncc2-c2ccc3ncccc3n2)nc1
4 rings, 21 atoms, the 2-(3-Pyridin-2-yl-1H-pyrazol-4-yl)-1,5-naphthyridine ring system.
2 other chemicals share this scaffoldSafety and hazards
GHS classification summary, not a safety data sheet
Hazard statements
- H301Toxic if swallowed.
Precautionary statements (7)
- P264Wash skin thoroughly after handling.
- P270Do not eat, drink or smoke when using this product.
- P301 + P316If swallowed: Get emergency medical help immediately.
- P321Specific treatment (see supplemental first aid instructions on the label).
- P330Rinse mouth.
- P405Store locked up.
- 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 aidRepSox suppliers
Sponsored listings first, then the documented ranking: membership, verification, replies, completeness, freshness and ratings
- ChinaUnclaimed profileALK5 Inhibitor IIGrade, purity and minimum order on requestPrice on request
- China, KowloonUnclaimed profileRepSoxGrade, purity and minimum order on requestPrice on request
- China, HangzhouUnclaimed profileRepSoxGrade, purity and minimum order on requestPrice on request
- China, ShanghaiUnclaimed profileRepSoxGrade, purity and minimum order on requestPrice on request
- China, WuhanUnclaimed profileRepSoxGrade, purity and minimum order on requestPrice on request
- United StatesUnclaimed profileRepSoxGrade, purity and minimum order on requestPrice on request
- Price on request
- China, GuangzhouUnclaimed profileRepSoxGrade, 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
13 suppliers in 3 countries
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RepSox price
Indicative price range per kg from live supplier offers
Suppliers quote this chemical on request. Send one free request and compare quotes side by side.
Uses and applications
What the substance is used for, by industry and function
Industries and functions
Roles
- TGFbeta receptor antagonist
- antagonist
- antineoplastic agent
- bone density conservation agent
- enzyme inhibitor
- pharmaceutical
- protein kinase inhibitor
- tyrosine kinase inhibitor
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 RepSox is traded under.
Heterocyclic compounds containing an unfused pyridine ring (whether or not hydrogenated) in the structureโฆ
- Germany14.2%
- United States12.8%
- Brazil10.1%
* Partner reported figures, a lower bound.
The HS code shown for RepSox is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.
Frequently asked questions
Quick answers about RepSox, based on the data on this page
What is RepSox?
What is the CAS number of RepSox?
What is the molecular formula and weight of RepSox?
What is RepSox used for?
Is RepSox hazardous?
What is the HS code of RepSox?
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Guides for buyers
Practical guides that help when you source, ship or handle RepSox
- 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
- Guide, Chemical identityCAS registry numbers explainedWhat a CAS number identifies, how the check digit works, why one chemical can have several numbers and what a CAS number cannot tell you about a product.Read
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