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Home> Encyclopedia >Pharmaceutical Intermediates>Antibiotic and antimicrobial agents
WP1066 structure
WP1066 structure

WP1066

Iupac Name:(E)-3-(6-bromopyridin-2-yl)-2-cyano-N-[(1S)-1-phenylethyl]prop-2-enamide
CAS No.: 857064-38-1
Molecular Weight:356.21656
Modify Date.: 2022-11-22 20:15
Introduction:

WP1066 is an inhibitor of JAK2 and STAT3, and also shows effect on STAT5 and ERK1/2, without affecting JAK1 and JAK3.


WP1066 has been used in trials studying the treatment of Melanoma, Brain Cancer, Solid Tumors, and Central Nervous System Neoplasms.|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. 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.

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1. Names and Identifiers
1.1 Name
WP1066
1.2 Synonyms

(2E)-3-(6-Bromo-2-pyridinyl)-2-cyano-N-[(1S)-1-phenylethyl]-2-propenamide (2E)-3-(6-Bromo-2-pyridinyl)-2-cyano-N-[(1S)-1-phenylethyl]-2-propenamide WP 1066 Stat3 Inhibitor III, WP1066 WP1066 wp1066(STAT Inhibitor III) WP1066/WP-1066

1.3 CAS No.
857064-38-1
1.4 CID
11210478
1.5 Molecular Formula
C17H14BrN3O (isomer)
1.6 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
1.7 InChkey
VFUAJMPDXIRPKO-LQELWAHVSA-N
1.8 Canonical Smiles
CC(C1=CC=CC=C1)NC(=O)C(=CC2=NC(=CC=C2)Br)C#N
1.9 Isomers Smiles
C[C@@H](C1=CC=CC=C1)NC(=O)/C(=C/C2=NC(=CC=C2)Br)/C#N
2. Properties
2.1 Density
1.425
2.1 Boiling point
569.9±50.0 °C at 760 mmHg
2.1 Refractive index
1.637
2.1 Flash Point
298.5±30.1 °C
2.1 Precise Quality
355.03200
2.1 PSA
65.78000
2.1 logP
4.01938
2.1 StorageTemp
+2C to +8C
3. Safety and Handling
3.1 Hazard Declaration
H302
3.1 Caution Statement
P264, P270, P301+P312, P330, P501
4. MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Acute toxicity - Oral, Category 4

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Warning

Hazard statement(s)

H302 Harmful if swallowed

Precautionary statement(s)
Prevention

P264 Wash ... thoroughly after handling.

P270 Do not eat, drink or smoke when using this product.

Response

P301+P312 IF SWALLOWED: Call a POISON CENTER/doctor/…if you feel unwell.

P330 Rinse mouth.

Storage

none

Disposal

P501 Dispose of contents/container to ...

2.3 Other hazards which do not result in classification

none

5. Other Information
5.0 Mesh Entry Terms
WP1066
6. Computational chemical data
  • Molecular Weight: 356.21656g/mol
  • Molecular Formula: C17H14BrN3O
  • Compound Is Canonicalized: True
  • XLogP3-AA: 3.4
  • Exact Mass: 355.03202
  • Monoisotopic Mass: 355.03202
  • Complexity: 462
  • Rotatable Bond Count: 4
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Topological Polar Surface Area: 65.8
  • Heavy Atom Count: 22
  • Defined Atom Stereocenter Count: 1
  • Undefined Atom Stereocenter Count: 0
  • Defined Bond Stereocenter Count: 1
  • Undefined Bond Stereocenter Count: 0
  • Isotope Atom Count: 0
  • Covalently-Bonded Unit Count: 1
  • CACTVS Substructure Key Fingerprint: AAADccB7IAAAEAAAAAAAAAAAAAAAAAAAAAA8QAAAAAAAAAABwAAAHgBQAAABPCjBngQygJLIEAC4ByVyVACigCAhAiQImKE4ZPgIoOLAkZGEIAhglgDIy5cQgIAOAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==
7. Recommended Suppliers
Global27SuppliersView all >>
WP1066 857064-38-1 supplier
  • Purity:99%Packing: 200kg/bag FOB
  • Price:  
  • Time: 2019/02/25
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  • Products:pharmaceutical intermediates, anti-cancer, anti-tumor
  • Tel:86-27-87599188
WP1066
  • Purity:99%Packing: 200kg/bag FOB
  • Price: 65 USD/10mg
  • Time: 2015/03/16
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WP1066/857064-38-1/99% in stock
  • Purity:99%Packing: 200kg/bag FOB
  • Price: 1 USD/gram
  • Time: 2022/07/06
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WP 1066
  • Purity:99%Packing: 200kg/bag FOB
  • Price: 500 USD/gram
  • Time: 2019/02/25
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  • Tel:+86-27-87599188
WP 1066
  • Purity:99%Packing: 200kg/bag FOB
  • Price: 4,862.00-4,862.00 USD/gram
  • Time: 2019/02/25
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