WP-1066
Also known as (S,E)-3-(6-Bromopyridin-2-yl)-2-cyano-N-(1-phenylethyl)acrylamide, WP 1066, (E)-3-(6-bromopyridin-2-yl)-2-cyano-N-[(1S)-1-phenylethyl]prop-2-enamide
Key facts
What buyers check first
- CAS number
- 857064-38-1
- Formula
- C17H14BrN3O
- Molar mass
- 356.22 g/mol
- EC number
- 632-919-3
- HS code
- 293339
- Category
- Screening compounds
What is WP-1066?
Plain description, key identifiers and synonyms
WP1066 is an organic molecular entity. It has a role as a STAT3 inhibitor.
Identifiers
Registry numbers, names and line notations, tap to copy
- IUPAC name
- (E)-3-(6-bromo-2-pyridinyl)-2-cyano-N-[(1S)-1-phenylethyl]prop-2-enamide
- CAS number
- 857064-38-1 CAS number cross-checked
- EC number
- 632-919-3
- Molecular formula
- C17H14BrN3O
- UNII
- 63V8AIE65T
- MDL number
- MFCD12912450
- InChIKey
- VFUAJMPDXIRPKO-LQELWAHVSA-N
- InChI
- InChI=1S/C17H14BrN3O/c1-12(13-6-3-2-4-7-13)20-17(22)14(11-19)10-15-8-5-9-16(18)21-15/h2-10,12H,1H3,(H,20,22)/b14-10+/t12-/m0/s1
- Canonical SMILES
- CC(NC(=O)C(C#N)=Cc1cccc(Br)n1)c1ccccc1
- Isomeric SMILES
- C[C@@H](C1=CC=CC=C1)NC(=O)/C(=C/C2=NC(=CC=C2)Br)/C#N
Synonyms
- (S,E)-3-(6-Bromopyridin-2-yl)-2-cyano-N-(1-phenylethyl)acrylamide
- WP 1066
- (E)-3-(6-bromopyridin-2-yl)-2-cyano-N-[(1S)-1-phenylethyl]prop-2-enamide
- 2-Propenamide, 3-(6-bromo-2-pyridinyl)-2-cyano-N-((1S)-1-phenylethyl)-, (2E)-
- (2E)-3-(6-Bromopyridin-2-yl)-2-cyano-N-[(1S)-1-phenylethyl]prop-2-enamide
- (2E)-3-(6-bromopyridin-2-yl)-2-cyano-N-((1S)-1-phenylethyl)prop-2-enamide
- (E)-3-(6-bromopyridin-2-yl)-2-cyano-N-((1S)-1-phenylethyl)prop-2-enamide
- Stat3 inhibitor wp1066
- wp1066STAT Inhibitor III
- (2E)-3-(6-Bromo-2-pyridinyl)-2-cyano-N-[(1S)-1-phenylethyl]-2-propenamide
- Sdccgsbi-0634628.p003
- (S,E)-3-(6-Bromo-2-pyridyl)-2-cyano-N-(1-phenylethyl)acrylamide
- (E)-3-(6-bromo-2-pyridyl)-2-cyano-N-[(1S)-1-phenylethyl]prop-2-enamide
- (E)-3-(6-Pyridin-2-yl)-2-cyano-N-[(1S)-1-phenylethyl]prop-2-enamide
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 | 356.22 g/molcalc.Computed value |
|---|---|
| Exact mass | 355.032 Dacalc.Computed value |
| LogP (octanol/water) | 3.63calc.Computed value |
| Topological polar surface area | 65.78 ร
ยฒcalc.Computed value |
| Hydrogen bond donors | 1calc.Computed value |
| Hydrogen bond acceptors | 3calc.Computed value |
| Rotatable bonds | 4calc.Computed value |
| Heavy atoms | 22calc.Computed value |
| Rings | 2calc.Computed value |
| Aromatic rings | 2calc.Computed value |
| Fraction sp3 carbons | 0.12calc.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
Hazard statements
- H302Harmful if swallowed.
Precautionary statements (5)
- P264Wash skin thoroughly after handling.
- P270Do not eat, drink or smoke when using this product.
- P301 + P317If swallowed: Get medical help.
- P330Rinse mouth.
- 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 aidWP-1066 suppliers
Sponsored listings first, then the documented ranking: membership, verification, replies, completeness, freshness and ratings
- China, ShanghaiUnclaimed profileWP-1066Grade, purity and minimum order on requestPrice on request
- United StatesUnclaimed profileWP-1066Grade, purity and minimum order on requestPrice on request
- United States, RestonUnclaimed profileWP-1066Grade, purity and minimum order on requestPrice on request
- China, GuangzhouUnclaimed profileWP-1066Grade, purity and minimum order on requestPrice on request
- China, ChangshaUnclaimed profileWP-1066Grade, purity and minimum order on requestPrice on request
- China, KunshanUnclaimed profileWP-1066Grade, 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
7 suppliers in 2 countries
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WP-1066 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
- STAT3 inhibitor
Pharmacology
STAT3 Inhibitor WP1066 is an orally bioavailable, small molecule inhibitor of signaling transducer and activator 3 (STAT3), with potential antineoplastic and immunomodulatory activities. Upon administration, STAT3 inhibitor WP1066 blocks the intranuclear translocation of p-STAT, thereby suppressing STAT3 signaling and decreasing the levels of downstream products including c-Myc.
Read more
Additionally, WP1066 may upregulate costimulatory molecules including CD80 and CD86 on human microglia, and reverse glioma cancer stem cell (gCSC)-mediated innate and adaptive immune suppression allowing for the restoration of antitumor effector immune responses. The STAT3 pathway is overly active in many cancer types and is implicated in CSC-mediated growth, recurrence and resistance to conventional chemotherapies.
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 WP-1066 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 WP-1066 is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.
Frequently asked questions
Quick answers about WP-1066, based on the data on this page
What is WP-1066?
What is the CAS number of WP-1066?
What is the molecular formula and weight of WP-1066?
What is WP-1066 used for?
Is WP-1066 hazardous?
What is the HS code of WP-1066?
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What is the price of WP-1066?
Guides for buyers
Practical guides that help when you source, ship or handle WP-1066
- 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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