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WAY-600 structure
WAY-600 structure

WAY-600

Iupac Name:4-[6-(1H-indol-5-yl)-1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyrazolo[3,4-d]pyrimidin-4-yl]morpholine
CAS No.: 1062159-35-6
Molecular Weight:494.5908
Modify Date.: 2022-11-22 20:07
Introduction:

WAY-600 is a potent, ATP-competitive, and selective mTOR inhibitor with an IC50 of 9 nM for recombinant mTOR enzyme. WAY-600 blocks mTOR complex 1/2 (mTORC1/2) assemble and activation.

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1. Names and Identifiers
1.1 Name
WAY-600
1.2 Synonyms

1H-Pyrazolo[3,4-d]pyrimidine, 6-(1H-indol-5-yl)-4-(4-morpholinyl)-1-[1-(3-pyridinylmethyl)-4-piperidinyl]- 4-[6-(1H-indol-5-yl)-1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyrazolo[3,4-d]pyrimidin-4-yl]morpholine 6-(1H-Indol-5-yl)-4-(4-morpholinyl)-1-[1-(3-pyridinylmethyl)-4-piperidinyl]-1H-pyrazolo[3,4-d]pyrimidine 6-(1H-indol-5-yl)-4-morpholino-1-(1-(pyridin-3-ylmethyl)piperidin-4-yl)-1H-pyrazolo[3,4-d]pyrimidine WAY 600 WAY-600 USP/EP/BP

1.3 CAS No.
1062159-35-6
1.4 CID
25229526
1.5 Molecular Formula
C28H30N8O (isomer)
1.6 Inchi
InChI=1S/C28H30N8O/c1-2-20(17-29-8-1)19-34-10-6-23(7-11-34)36-28-24(18-31-36)27(35-12-14-37-15-13-35)32-26(33-28)22-3-4-25-21(16-22)5-9-30-25/h1-5,8-9,16-18,23,30H,6-7,10-15,19H2
1.7 InChkey
FPEIJQLXFHKLJV-UHFFFAOYSA-N
1.8 Canonical Smiles
C1CN(CCC1N2C3=C(C=N2)C(=NC(=N3)C4=CC5=C(C=C4)NC=C5)N6CCOCC6)CC7=CN=CC=C7
1.9 Isomers Smiles
C1CN(CCC1N2C3=C(C=N2)C(=NC(=N3)C4=CC5=C(C=C4)NC=C5)N6CCOCC6)CC7=CN=CC=C7
2. Properties
2.1 Density
1.43
2.1 Boiling point
678.1±55.0 °C at 760 mmHg
2.1 Refractive index
1.761
2.1 Flash Point
363.9±31.5 °C
2.1 Precise Quality
494.25400
2.1 PSA
87.99000
2.1 logP
4.04620
2.1 pKa
16.08±0.30(Predicted)
3. MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

no data available

2.2 GHS label elements, including precautionary statements

Pictogram(s) no data available
Signal word

no data available

Hazard statement(s)

no data available

Precautionary statement(s)
Prevention

no data available

Response

no data available

Storage

no data available

Disposal

no data available

2.3 Other hazards which do not result in classification

no data available

5. Computational chemical data
  • Molecular Weight: 494.5908g/mol
  • Molecular Formula: C28H30N8O
  • Compound Is Canonicalized: True
  • XLogP3-AA: 3
  • Exact Mass: 494.25425761
  • Monoisotopic Mass: 494.25425761
  • Complexity: 744
  • Rotatable Bond Count: 5
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 7
  • Topological Polar Surface Area: 88
  • Heavy Atom Count: 37
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count: 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Isotope Atom Count: 0
  • Covalently-Bonded Unit Count: 1
  • CACTVS Substructure Key Fingerprint: AAADceB74AAAAAAAAAAAAAAAAAAAAWLAAAA8WLFiAAAAAFgB/gAAHgAYAAAADCjhnwY98P/JlACiAzZnZACShCsxgqAd2aA4ZJiKKOLA2dGHpAhomALYyCcQgMAOCAACAAACAAAQAAQAAAQAAAAAAAAAAA==
6. Recommended Suppliers
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WAY-600 1062159-35-6 supplier
  • Purity:99%Packing: 200kg/bag FOB
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  • Time: 2019/02/25
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WAY-600
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WAY-600 cas 1062159-35-6
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WAY 600
  • Purity:99%Packing: 200kg/bag FOB
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  • Time: 2019/02/25
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7. Realated Product Infomation