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CS-6253

CAT: 0013-GTR19237798-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19237798-02Size:50 mg
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Description
CS-6253 is an ABCA1 agonist that modulates the Aβ42/40 ratio and plasma lipoprotein metabolism. It promotes the formation of cholesterol-rich HDL particles and induces microparticle release, making it a valuable tool for in vitro and in vivo research on Alzheimer's disease and cardiovascular lipid biology.
CAS Number
1627911-44-7
Smiles
C ([C@H] (NC ([C@@H] (NC ([C@@H] (NC ([C@@H] (NC ([C@@H] (NC ([C@@H] (NC ([C@@H] (NC ([C@@H] (NC ([C@H] (CCC (O) =O) N) =O) C (C) C) =O) CCCNC (N) =O) =O) CO) =O) CCCCN) =O) CC (C) C) =O) CCC (O) =O) =O) CCC (O) =O) =O) C (N[C@H] (C (N[C@H] (C (N[C@H] (C (N[C@H] (C (N[C@H] (C (N[C@H] (C (N[C@H] (C (N[C@H] (C (N[C@H] (C (N[C@H] (C (N[C@H] (C (N[C@H] (C (N[C@H] (C (N[C@H] (C (N[C@H] (C (N[C@H] (C (N[C@H] (C (O) =O) CO) =O) CCCCN) =O) CC (C) C) =O) CCCNC (=N) N) =O) C) =O) CC (C) C) =O) CC (C) C) =O) CCC (O) =O) =O) CCC (O) =O) =O) C) =O) CC (C) C) =O) CCC (O) =O) =O) CCCNC (N) =O) =O) CC (C) C) =O) C) =O) C) =O) CC (C) C) =O) C=1C=2C (NC1) =CC=CC2
Molecular Formula
C136H228N36O43
Molecular Weight
3055.48
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

H-Glu-Val-Cit-Ser-Lys-Leu-Glu-Glu-Trp-Leu-Ala-Ala-Leu-Cit-Glu-Leu-Ala-Glu-Glu-Leu-Leu-Ala-Arg-Leu-Lys-Ser-OH
CAS Number1627911-44-7
PubChem CID171989729
IUPAC Name(4S)-4-amino-5-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-6-amino-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-6-amino-1-[[(1S)-1-carboxy-2-hydroxyethyl]amino]-1-oxohexan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-5-(carbamoylamino)-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxohexan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-5-(carbamoylamino)-1-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-5-oxopentanoic acid
Molecular FormulaC136H228N36O43
Molecular Weight3055.5
XLogP-10.2
Topological Polar Surface Area1300
Hydrogen Bond Donor Count45
Hydrogen Bond Acceptor Count47
Rotatable Bond Count109
Heavy Atom Count215
Formal Charge0
Complexity6920
SMILES
C[C@@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=O)N)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC1=CNC2=CC=CC=C21)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](CCCNC(=O)N)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CCC(=O)O)N
InChI
InChI=1S/C136H228N36O43/c1-65(2)54-91(123(202)151-76(20)110(189)153-86(38-44-102(177)178)118(197)158-89(41-47-105(183)184)121(200)166-97(60-71(13)14)129(208)167-92(55-66(3)4)125(204)150-75(19)109(188)152-83(34-27-51-144-134(140)141)115(194)165-95(58-69(9)10)127(206)154-82(33-24-26-50-138)117(196)171-100(64-174)133(212)213)163-120(199)88(40-46-104(181)182)157-113(192)84(35-28-52-145-135(142)214)155-126(205)94(57-68(7)8)162-111(190)74(18)148-108(187)73(17)149-124(203)93(56-67(5)6)168-130(209)98(61-77-62-147-80-31-22-21-30-78(77)80)169-122(201)90(42-48-106(185)186)159-119(198)87(39-45-103(179)180)160-128(207)96(59-70(11)12)164-114(193)81(32-23-25-49-137)156-131(210)99(63-173)170-116(195)85(36-29-53-146-136(143)215)161-132(211)107(72(15)16)172-112(191)79(139)37-43-101(175)176/h21-22,30-31,62,65-76,79,81-100,107,147,173-174H,23-29,32-61,63-64,137-139H2,1-20H3,(H,148,187)(H,149,203)(H,150,204)(H,151,202)(H,152,188)(H,153,189)(H,154,206)(H,155,205)(H,156,210)(H,157,192)(H,158,197)(H,159,198)(H,160,207)(H,161,211)(H,162,190)(H,163,199)(H,164,193)(H,165,194)(H,166,200)(H,167,208)(H,168,209)(H,169,201)(H,170,195)(H,171,196)(H,172,191)(H,175,176)(H,177,178)(H,179,180)(H,181,182)(H,183,184)(H,185,186)(H,212,213)(H4,140,141,144)(H3,142,145,214)(H3,143,146,215)/t73-,74-,75-,76-,79-,81-,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,107-/m0/s1
InChIKey
SGFZBSHRHFQBML-JCSKTXPISA-N
Chemical Structure
2D Structure
2D structure of H-Glu-Val-Cit-Ser-Lys-Leu-Glu-Glu-Trp-Leu-Ala-Ala-Leu-Cit-Glu-Leu-Ala-Glu-Glu-Leu-Leu-Ala-Arg-Leu-Lys-Ser-OH
CAS: 1627911-44-7
CID: 171989729
Formula: C136H228N36O43
MW: 3055.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight3055.5
XLogP3-10.2
Hydrogen Bond Donor Count45
Hydrogen Bond Acceptor Count47
Rotatable Bond Count109
Exact Mass3054.6794549
Monoisotopic Mass3053.6761001
Topological Polar Surface Area1300 Ų
Heavy Atom Count215
Formal Charge0
Complexity6920
Isotope Atom Count0
Defined Atom Stereocenter Count26
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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