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ERα17p

CAT: 0931-TP2682-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0931-TP2682-01Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
938077-77-1
Target
Apoptosis
Related Pathways
Apoptosis
Bioactivity
ERα17p (ERα 295-311), the epitope of the CaM binding site located on estrogen receptor α (ER), interacts with calmodulin (CaM) in a calcium-dependent fashion. This peptide is involved in regulating the migration of various cancer cell lines including MCF-7, SK-BR-3, T47D, and MDA-MB-231 via the Rho/ROCK and PI3K/Akt signaling pathways. Additionally, ERα17p plays a role in suppressing proliferation and inducing apoptosis in breast cancer cells, as well as inhibiting tumor growth in mouse models.
Smiles
[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@@H](C)O)C(O)=O)=O)CC(C)C)=O)CO)=O)CC(C)C)=O)C)=O)CC(C)C)=O)CO)=O)CC(N)=O)=O)CCCCN)=O)CCCCN)=O)CO)=O)CCCNC(=N)N)=O)(NC([C@@H](NC([C@@H](NC([C@@H](NC(=O)[C@@H]1CCCN1)CC(C)C)=O)CCSC)=O)[C@H](CC)C)=O)CCCCN
Molecular Formula
C84H154N24O23S
Molecular Weight
1900.33
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

H-Pro-Leu-Met-Ile-Lys-Arg-Ser-Lys-Lys-Asn-Ser-Leu-Ala-Leu-Ser-Leu-Thr-OH
CAS Number938077-77-1
PubChem CID171714350
IUPAC Name(2S,3R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-4-amino-2-[[(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S,3S)-3-methyl-2-[[(2S)-2-[[(2S)-4-methyl-2-[[(2S)-pyrrolidine-2-carbonyl]amino]pentanoyl]amino]-4-methylsulfanylbutanoyl]amino]pentanoyl]amino]hexanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-3-hydroxypropanoyl]amino]hexanoyl]amino]hexanoyl]amino]-4-oxobutanoyl]amino]-3-hydroxypropanoyl]amino]-4-methylpentanoyl]amino]propanoyl]amino]-4-methylpentanoyl]amino]-3-hydroxypropanoyl]amino]-4-methylpentanoyl]amino]-3-hydroxybutanoic acid
Molecular FormulaC84H154N24O23S
Molecular Weight1900.3
XLogP-6.4
Topological Polar Surface Area807
Hydrogen Bond Donor Count28
Hydrogen Bond Acceptor Count29
Rotatable Bond Count68
Heavy Atom Count132
Formal Charge0
Complexity3730
SMILES
CC[C@H](C)[C@@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)O)NC(=O)[C@H](CCSC)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1
InChI
InChI=1S/C84H154N24O23S/c1-14-47(10)65(107-73(120)55(28-34-132-13)97-75(122)58(37-45(6)7)100-68(115)50-26-21-32-91-50)82(129)98-53(25-17-20-31-87)70(117)95-54(27-22-33-92-84(89)90)72(119)104-61(40-109)79(126)96-51(23-15-18-29-85)69(116)94-52(24-16-19-30-86)71(118)103-60(39-64(88)113)77(124)106-63(42-111)80(127)101-56(35-43(2)3)74(121)93-48(11)67(114)99-57(36-44(4)5)76(123)105-62(41-110)81(128)102-59(38-46(8)9)78(125)108-66(49(12)112)83(130)131/h43-63,65-66,91,109-112H,14-42,85-87H2,1-13H3,(H2,88,113)(H,93,121)(H,94,116)(H,95,117)(H,96,126)(H,97,122)(H,98,129)(H,99,114)(H,100,115)(H,101,127)(H,102,128)(H,103,118)(H,104,119)(H,105,123)(H,106,124)(H,107,120)(H,108,125)(H,130,131)(H4,89,90,92)/t47-,48-,49+,50-,51-,52-,53-,54-,55-,56-,57-,58-,59-,60-,61-,62-,63-,65-,66-/m0/s1
InChIKey
KBIGMLNABUOYNU-WBFOANKLSA-N
Chemical Structure
2D Structure
2D structure of H-Pro-Leu-Met-Ile-Lys-Arg-Ser-Lys-Lys-Asn-Ser-Leu-Ala-Leu-Ser-Leu-Thr-OH
CAS: 938077-77-1
CID: 171714350
Formula: C84H154N24O23S
MW: 1900.3
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight1900.3
XLogP3-6.4
Hydrogen Bond Donor Count28
Hydrogen Bond Acceptor Count29
Rotatable Bond Count68
Exact Mass1899.13393843
Monoisotopic Mass1899.13393843
Topological Polar Surface Area807 Ų
Heavy Atom Count132
Formal Charge0
Complexity3730
Isotope Atom Count0
Defined Atom Stereocenter Count19
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes