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AS6

CAT: 0804-HY-120161-04Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-120161-04Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
AS6 (3'-Hexylsulfanylabscisic acid) can bind to PYL proteins, and acts as a PYL antagonist (Kd: 0.48 μM for PYL5) [1].
CAS Number
1609660-14-1
Product Name Alternative
3'-Hexylsulfanylabscisic acid
UNSPSC
12352211
Target
ABA Receptor
Type
Reference compound
Related Pathways
MAPK/ERK Pathway
Field of Research
Others
Assay Protocol
https://www.medchemexpress.com/as6.html
Purity
98.72
Solubility
DMSO : 100 mg/mL
Smiles
O=C(/C=C(\C=C\[C@]1(C(C)=C(C(CC1(C)C)=O)SCCCCCC)O)C)O
Molecular Formula
C21H32O4S
Molecular Weight
380.54
References & Citations
[1]Takeuchi J, et al. Conformationally restricted 3'-modified ABA analogs for controlling ABA receptors. Org Biomol Chem. 2015 Apr 14;13 (14) :4278-88.
Shipping Conditions
Blue Ice
Storage Conditions
-20°C (Powder, protect from light)
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

(2z,4e)-5-[(1s)-3-(Hexylsulfanyl)-1-Hydroxy-2,6,6-Trimethyl-4-Oxocyclohex-2-En-1-Yl]-3-Methylpenta-2,4-Dienoic Acid
CAS Number1609660-14-1
PubChem CID73437621
IUPAC Name(2Z,4E)-5-[(1S)-3-hexylsulfanyl-1-hydroxy-2,6,6-trimethyl-4-oxocyclohex-2-en-1-yl]-3-methylpenta-2,4-dienoic acid
Molecular FormulaC21H32O4S
Molecular Weight380.5
XLogP4.7
Topological Polar Surface Area99.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count9
Heavy Atom Count26
Formal Charge0
Complexity628
SMILES
CCCCCCSC1=C([C@@](C(CC1=O)(C)C)(/C=C/C(=C\C(=O)O)/C)O)C
InChI
InChI=1S/C21H32O4S/c1-6-7-8-9-12-26-19-16(3)21(25,20(4,5)14-17(19)22)11-10-15(2)13-18(23)24/h10-11,13,25H,6-9,12,14H2,1-5H3,(H,23,24)/b11-10+,15-13-/t21-/m1/s1
InChIKey
AOFXVHRNNSAVEA-IHZHKDPYSA-N
Chemical Structure
2D Structure
2D structure of (2z,4e)-5-[(1s)-3-(Hexylsulfanyl)-1-Hydroxy-2,6,6-Trimethyl-4-Oxocyclohex-2-En-1-Yl]-3-Methylpenta-2,4-Dienoic Acid
CAS: 1609660-14-1
CID: 73437621
Formula: C21H32O4S
MW: 380.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight380.5
XLogP34.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count9
Exact Mass380.20213067
Monoisotopic Mass380.20213067
Topological Polar Surface Area99.9 Ų
Heavy Atom Count26
Formal Charge0
Complexity628
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count2
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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