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7-Bromohept-1-yne

CAT: 0804-HY-W459522-01Size: 250 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-W459522-01Size:250 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
7-Bromohept-1-yne is a PROTAC linker that can be used to synthesize AK-1690.
CAS Number
81216-14-0
UNSPSC
12352211
Hazard Statement
H225, H315, H319, H335
Target
PROTAC Linkers
Type
Reference compound
Related Pathways
PROTAC
Applications
Cancer-programmed cell death
Field of Research
Cancer
Assay Protocol
https://www.medchemexpress.com/7-bromohept-1-yne.html
Purity
99.71
Smiles
C#CCCCCCBr
Molecular Formula
C7H11Br
Molecular Weight
175.07
Precautions
H225, H315, H319, H335
References & Citations
[1]Kaneshige A, et al. Discovery of AK-1690: A Potent and Highly Selective STAT6 PROTAC Degrader. J Med Chem. 2024 Sep 23.
Shipping Conditions
Room Temperature
Storage Conditions
-20°C, 3 years; 4°C, 2 years (Powder)
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

7-Bromohept-1-yne
CAS Number81216-14-0
PubChem CID13267101
IUPAC Name7-bromohept-1-yne
Molecular FormulaC7H11Br
Molecular Weight175.07
XLogP2.8
Topological Polar Surface Area0
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count4
Heavy Atom Count8
Formal Charge0
Complexity77
SMILES
C#CCCCCCBr
InChI
InChI=1S/C7H11Br/c1-2-3-4-5-6-7-8/h1H,3-7H2
InChIKey
SCHBMYWHADQVBE-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 7-Bromohept-1-yne
CAS: 81216-14-0
CID: 13267101
Formula: C7H11Br
MW: 175.07
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight175.07
XLogP32.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count4
Exact Mass174.00441
Monoisotopic Mass174.00441
Topological Polar Surface Area0 Ų
Heavy Atom Count8
Formal Charge0
Complexity77.6
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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