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CAT: 1410-M30749Size: 1 EachDry Ice: NoHazardous: No
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Description
FKBPL (FK506-binding protein like) -based peptide. Binds to and upregulates expression of CD44. Inhibits breast cancer stem cell (BCSC) growth. Decreases pluripotency markers and promotes differentiation of BCSCs. Also inhibits endothelial cell migration as well as tubule and microvessel formation in vitro and in vivo. Blocks tumor growth in xenograft models.
CAS Number
959961-23-0
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
2703.94
Molecular Formula
C115H187N33O42
Notes
Research use only, not for human use.
Receptor
——

Chemical Information

H-Gln-Ile-Arg-Gln-Gln-Pro-Arg-Asp-Pro-Pro-Thr-Glu-Thr-Leu-Glu-Leu-Glu-Val-Ser-Pro-Asp-Pro-Ala-Ser-OH
CAS Number959961-23-0
PubChem CID138991787
IUPAC Name(4S)-4-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-1-[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-5-amino-2-[[(2S)-5-amino-2-[[(2S)-5-carbamimidamido-2-[[(2S,3S)-2-[[(2S)-2,5-diamino-5-oxopentanoyl]amino]-3-methylpentanoyl]amino]pentanoyl]amino]-5-oxopentanoyl]amino]-5-oxopentanoyl]pyrrolidine-2-carbonyl]amino]-5-carbamimidamidopentanoyl]amino]-3-carboxypropanoyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]amino]-3-hydroxybutanoyl]amino]-4-carboxybutanoyl]amino]-3-hydroxybutanoyl]amino]-4-methylpentanoyl]amino]-5-[[(2S)-1-[[(2S)-4-carboxy-1-[[(2S)-1-[[(2S)-1-[(2S)-2-[[(2S)-3-carboxy-1-[(2S)-2-[[(2S)-1-[[(1S)-1-carboxy-2-hydroxyethyl]amino]-1-oxopropan-2-yl]carbamoyl]pyrrolidin-1-yl]-1-oxopropan-2-yl]carbamoyl]pyrrolidin-1-yl]-3-hydroxy-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-5-oxopentanoic acid
Molecular FormulaC115H187N33O42
Molecular Weight2703.9
XLogP-14.1
Topological Polar Surface Area1210
Hydrogen Bond Donor Count38
Hydrogen Bond Acceptor Count45
Rotatable Bond Count85
Heavy Atom Count190
Formal Charge0
Complexity6410
SMILES
CC[C@H](C)[C@@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCC(=O)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(=O)O)C(=O)N2CCC[C@H]2C(=O)N3CCC[C@H]3C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CO)C(=O)N4CCC[C@H]4C(=O)N[C@@H](CC(=O)O)C(=O)N5CCC[C@H]5C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)O)NC(=O)[C@H](CCC(=O)N)N
InChI
InChI=1S/C115H187N33O42/c1-12-55(8)87(141-91(167)59(116)27-33-78(117)153)105(181)131-61(21-14-40-125-115(122)123)92(168)127-62(28-34-79(118)154)94(170)133-66(29-35-80(119)155)108(184)144-41-16-23-74(144)101(177)130-60(20-13-39-124-114(120)121)93(169)136-69(48-84(162)163)110(186)148-45-19-26-77(148)112(188)147-44-18-25-76(147)103(179)143-89(58(11)152)106(182)132-65(32-38-83(160)161)97(173)142-88(57(10)151)107(183)135-68(47-53(4)5)99(175)128-63(30-36-81(156)157)95(171)134-67(46-52(2)3)98(174)129-64(31-37-82(158)159)96(172)140-86(54(6)7)104(180)138-71(50-149)111(187)146-43-17-24-75(146)102(178)137-70(49-85(164)165)109(185)145-42-15-22-73(145)100(176)126-56(9)90(166)139-72(51-150)113(189)190/h52-77,86-89,149-152H,12-51,116H2,1-11H3,(H2,117,153)(H2,118,154)(H2,119,155)(H,126,176)(H,127,168)(H,128,175)(H,129,174)(H,130,177)(H,131,181)(H,132,182)(H,133,170)(H,134,171)(H,135,183)(H,136,169)(H,137,178)(H,138,180)(H,139,166)(H,140,172)(H,141,167)(H,142,173)(H,143,179)(H,156,157)(H,158,159)(H,160,161)(H,162,163)(H,164,165)(H,189,190)(H4,120,121,124)(H4,122,123,125)/t55-,56-,57+,58+,59-,60-,61-,62-,63-,64-,65-,66-,67-,68-,69-,70-,71-,72-,73-,74-,75-,76-,77-,86-,87-,88-,89-/m0/s1
InChIKey
MBICTOITIIILAZ-UNWACOBVSA-N
Chemical Structure
2D Structure
2D structure of H-Gln-Ile-Arg-Gln-Gln-Pro-Arg-Asp-Pro-Pro-Thr-Glu-Thr-Leu-Glu-Leu-Glu-Val-Ser-Pro-Asp-Pro-Ala-Ser-OH
CAS: 959961-23-0
CID: 138991787
Formula: C115H187N33O42
MW: 2703.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight2703.9
XLogP3-14.1
Hydrogen Bond Donor Count38
Hydrogen Bond Acceptor Count45
Rotatable Bond Count85
Exact Mass2703.3544919
Monoisotopic Mass2702.3511371
Topological Polar Surface Area1210 Ų
Heavy Atom Count190
Formal Charge0
Complexity6410
Isotope Atom Count0
Defined Atom Stereocenter Count27
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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