SOR-C13

DCTPepD ID  DCTPepD0044

Active Ingredients   SOR-C13

Description  An inhibitor of transient receptor potential cation channel vanilloid family member 6 (TRPV6, CaT1 or CATL) with potential antineoplastic activity. TRPV6 calcium channel inhibitor SOR-C13 binds to TRPV6 and prevents the influx of calcium ions into TRPV6-expressing tumor cells. This inhibits the activation of nuclear factor of activated T-cell (NFAT) transcription complex which may result in an inhibition of calcium-dependent cancer cell proliferation and an induction of apoptosis in tumor cells overexpressing TRPV6. The TRPV6 ion channel plays a key role in calcium homeostasis and is highly selective for calcium compared to other cations; it is overexpressed in a variety of tumors and initiates tumor cell growth, proliferation and metastases.

Synonyms  TRPV6 Calcium Channel Inhibitor SOR-C13; SOR-C13

Disease  Advanced Cancers

Classification

  

TRPV6 Calcium Channel Inhibitor Peptide and derivative

Structure Information


Molecular Formula  C72H116N20O19

Molecular Weight  1565.8

Active Sequence  KEFLHPSKVDLPR

Sequence Length  13

Modification  None

Structure

 

Show IUPAC/InChI/SMILES

IUPAC Name  (4S)-5-[[(2S)-1-[[(2S)-1-[[(2S)-1-[(2S)-2-[[(2S)-1-[[(2S)-6-amino-1-[[(2S)-1-[[(2S)-3-carboxy-1-[[(2S)-1-[(2S)-2-[[(1S)-1-carboxy-4-(diaminomethylideneamino)butyl]carbamoyl]pyrrolidin-1-yl]-4-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1-oxohexan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]carbamoyl]pyrrolidin-1-yl]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-4-[[(2S)-2,6-diaminohexanoyl]amino]-5-oxopentanoic acid

InChI  InChI=1S/C72H116N20O19/c1-39(2)31-48(84-63(102)49(33-42-17-8-7-9-18-42)85-60(99)46(24-25-56(94)95)81-59(98)44(75)19-10-12-26-73)62(101)88-52(34-43-36-78-38-80-43)70(109)92-30-16-23-55(92)67(106)89-53(37-93)65(104)82-45(20-11-13-27-74)61(100)90-58(41(5)6)68(107)86-50(35-57(96)97)64(103)87-51(32-40(3)4)69(108)91-29-15-22-54(91)66(105)83-47(71(110)111)21-14-28-79-72(76)77/h7-9,17-18,36,38-41,44-55,58,93H,10-16,19-35,37,73-75H2,1-6H3,(H,78,80)(H,81,98)(H,82,104)(H,83,105)(H,84,102)(H,85,99)(H,86,107)(H,87,103)(H,88,101)(H,89,106)(H,90,100)(H,94,95)(H,96,97)(H,110,111)(H4,76,77,79)/t44-,45-,46-,47-,48-,49-,50-,51-,52-,53-,54-,55-,58-/m0/s1

InChI_Key LGANPTNILMNMES-TVNHODDRSA-N

SMILES  OC(C[C@H](NC([C@@H](NC([C@@H](NC([C@@H](NC([C@@H]1CCCN1C([C@@H](NC([C@@H](NC([C@@H](NC([C@@H](NC([C@@H](N)CCCCN)=O)CCC(O)=O)=O)CC2=CC=CC=C2)=O)CC(C)C)=O)CC3=CN=CN3)=O)=O)CO)=O)CCCCN)=O)C(C)C)=O)C(N[C@H](C(N4CCC[C@H]4C(N[C@@H](CCCNC(N)=N)C(O)=O)=O)=O)CC(C)C)=O)=O

External Codes


PubChem CID  121596688

DrugBank Accession Number  DB15366

NCI Thesaurus Code  C101525  

UNII  C79B5A73C4   GSRS

CAS  1187852-48-7



Drug approval


Drug indication
    Investigated for use/treatment in advanced cancers.

    The drug is not approved.

ClinicalTrials.gov Identifier Title Condition or disease Phase Purpose
NCT03784677 A Phase I Study of SOR-C13 in Patients With Advanced Solid Tumors Advanced Malignant Solid Neoplasm; Refractory Malignant Solid Neoplasm; Refractory Ovarian Carcinoma; Refractory Pancreatic Carcinoma; Stage II Pancreatic Cancer AJCC v8; Stage IIA Pancreatic Cancer AJCC v8; other various stages of Pancreatic Cancer and Ovarian Carcinoma Phase 1 Treatment
NCT01578564 Phase I, Open-label, Dose Escalation Study to Assess Safety and Tolerability of SOR-C13 in Subjects With Advanced Solid Tumors Commonly Known to Express the TRPV6 Ion Channel Cancer Phase 1 Treatment

    More clinical information is obtained from ClinicalTrials.gov.





DCTPep is developed by Dr.Zheng's team.