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LP-403812

CAT: 0013-GTR19197247-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19197247-01Size:25 mg
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Description
LP-403812 is a highly effective small molecule inhibitor targeting the proline transporter. It is utilized in neuroscience and cancer research to modulate proline-dependent cellular processes, with applications in both in vitro assays and in vivo model studies.
CAS Number
1142050-84-7
Smiles
C (=O) (C=1C2=C (N (C (C) (C) C) N1) N=C (NC (=O) C3=CC=C (C) C=C3) S2) N4[C@H] (CN5CCCC5) CCC4
Molecular Formula
C26H34N6O2S
Molecular Weight
494.65
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

LP-403812

a proline transporter inhibitor; structure in first source

CAS Number1142050-84-7
PubChem CID59001466
IUPAC NameN-[1-tert-butyl-3-[(2S)-2-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carbonyl]pyrazolo[5,4-d][1,3]thiazol-5-yl]-4-methylbenzamide
Molecular FormulaC26H34N6O2S
Molecular Weight494.7
XLogP4.3
Topological Polar Surface Area112
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count6
Heavy Atom Count35
Formal Charge0
Complexity776
SMILES
CC1=CC=C(C=C1)C(=O)NC2=NC3=C(S2)C(=NN3C(C)(C)C)C(=O)N4CCC[C@H]4CN5CCCC5
InChI
InChI=1S/C26H34N6O2S/c1-17-9-11-18(12-10-17)23(33)28-25-27-22-21(35-25)20(29-32(22)26(2,3)4)24(34)31-15-7-8-19(31)16-30-13-5-6-14-30/h9-12,19H,5-8,13-16H2,1-4H3,(H,27,28,33)/t19-/m0/s1
InChIKey
GJBQMIZKUFMWPV-IBGZPJMESA-N
Chemical Structure
2D Structure
2D structure of LP-403812
CAS: 1142050-84-7
CID: 59001466
Formula: C26H34N6O2S
MW: 494.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight494.7
XLogP34.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count6
Exact Mass494.24639552
Monoisotopic Mass494.24639552
Topological Polar Surface Area112 Ų
Heavy Atom Count35
Formal Charge0
Complexity776
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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Alternative Products

CatalogName
MBS5777551LP-403812
030400LPA (Apolipoprotein (a), LP, Lp (a) )
A2299-80AApolipoprotein Lp (a) (Apo Lp-a)
KAI-044Lp (a)
A2299-80Apolipoprotein Lp (a) (Apo Lp-a) discontinued
MBS6463816-01Apolipoprotein Lp(a) (Apo Lp-a) (PE)
MBS6463809-01Apolipoprotein Lp(a) (Apo Lp-a) (HRP)
MBS6463807-01Apolipoprotein Lp(a) (Apo Lp-a) (Biotin)
MBS6463808-01Apolipoprotein Lp(a) (Apo Lp-a) (FITC)
MBS6463811-01Apolipoprotein Lp(a) (Apo Lp-a) (AP)

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