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SN40 (hydrochloride)

CAT: 0804-HY-146241B-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-146241B-01Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
SN40 hydrochloride is a potent amino acid transport (AAT) inhibitor with Kis of 7.29 μM, 2.42 μM, 2.94 μM, 5.55 μM, 24.43 μM and 5.55 μM for rat ASCT2, human ASCT2, EAAT1, EAAT2, EAAC1 and EAAT5, respectively. SN40 hydrochloride can be used for researching anticancer[1].
CAS Number
2768663-15-4
UNSPSC
12352005
Target
ASCT; EAAT
Type
Reference compound
Related Pathways
Membrane Transporter/Ion Channel
Field of Research
Others
Assay Protocol
https://www.medchemexpress.com/sn40-hydrochloride.html
Purity
98.00
Solubility
DMSO : 100 mg/mL (ultrasonic)
Smiles
OC([C@@H](NC1)C[C@@H]1NCC2=CC=C(C3=CC=CC=C3)C=C2)=O.[H]Cl
Molecular Formula
C18H21ClN2O2
Molecular Weight
332.82
References & Citations
[1]Grewer Christof, et al. Preparation of amino acids as inhibitors of alanine serine cysteine transporter 2. World Intellectual Property Organization, WO2022087630 A1 2022-04-28
Shipping Conditions
Room Temperature
Storage Conditions
4°C (Powder, sealed storage, away from moisture)
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

SN40 (hydrochloride)
CAS Number2768663-15-4
PubChem CID169494471
IUPAC Name(2S,4S)-4-[(4-phenylphenyl)methylamino]pyrrolidine-2-carboxylic acid;hydrochloride
Molecular FormulaC18H21ClN2O2
Molecular Weight332.8
Topological Polar Surface Area61.4
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Heavy Atom Count23
Formal Charge0
Complexity360
SMILES
C1[C@@H](CN[C@@H]1C(=O)O)NCC2=CC=C(C=C2)C3=CC=CC=C3.Cl
InChI
InChI=1S/C18H20N2O2.ClH/c21-18(22)17-10-16(12-20-17)19-11-13-6-8-15(9-7-13)14-4-2-1-3-5-14;/h1-9,16-17,19-20H,10-12H2,(H,21,22);1H/t16-,17-;/m0./s1
InChIKey
SCVJDDMQQPCHCV-QJHJCNPRSA-N
Chemical Structure
2D Structure
2D structure of SN40 (hydrochloride)
CAS: 2768663-15-4
CID: 169494471
Formula: C18H21ClN2O2
MW: 332.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight332.8
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Exact Mass332.1291556
Monoisotopic Mass332.1291556
Topological Polar Surface Area61.4 Ų
Heavy Atom Count23
Formal Charge0
Complexity360
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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