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(-) -SHIN1

CAT: 0013-GTR19204801-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19204801-01Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
(-) -SHIN1 ((-) -RZ-2994) is the inactive enantiomer of the SHIN1 compound, serving as a critical negative control in biochemical and cellular assays. It is utilized in research to study SHMT1/2 inhibition specificity, aiding in vitro and in vivo experimental validation.
CAS Number
2444764-09-2
Smiles
OCC1=CC (C2=CC=CC=C2) =CC ([C@]3 (C (C (C) =NN4) =C4OC (N) =C3C#N) C (C) C) =C1
Molecular Formula
C24H24N4O2
Molecular Weight
400.47
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

CID 134337375
CAS Number2444764-09-2
PubChem CID134337375
IUPAC Name(4R)-6-amino-4-[3-(hydroxymethyl)-5-phenylphenyl]-3-methyl-4-propan-2-yl-2H-pyrano[2,3-c]pyrazole-5-carbonitrile
Molecular FormulaC24H24N4O2
Molecular Weight400.5
XLogP4.4
Topological Polar Surface Area108
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Heavy Atom Count30
Formal Charge0
Complexity707
SMILES
CC1=C2C(=NN1)OC(=C([C@]2(C3=CC(=CC(=C3)C4=CC=CC=C4)CO)C(C)C)C#N)N
InChI
InChI=1S/C24H24N4O2/c1-14(2)24(20(12-25)22(26)30-23-21(24)15(3)27-28-23)19-10-16(13-29)9-18(11-19)17-7-5-4-6-8-17/h4-11,14,29H,13,26H2,1-3H3,(H,27,28)/t24-/m1/s1
InChIKey
VVVOFJZXKJKHTD-XMMPIXPASA-N
Chemical Structure
2D Structure
2D structure of CID 134337375
CAS: 2444764-09-2
CID: 134337375
Formula: C24H24N4O2
MW: 400.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight400.5
XLogP34.4
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Exact Mass400.18992602
Monoisotopic Mass400.18992602
Topological Polar Surface Area108 Ų
Heavy Atom Count30
Formal Charge0
Complexity707
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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