• ChemBase ID: 133538
• Molecular Formular: C141H231N41O43S
• Molecular Mass: 3220.65674
• Monoisotopic Mass: 3218.68701626
• SMILES: CC[C@H](C)[C@@H](C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CO)C(=O)O)N
• Canonical SMILES: CSCC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O)CO)Cc1nc[nH]c1)C)CCC(=O)N)CCC(=O)N)C)CC(C)C)CCC(=O)N)CCC(=O)O)C)CCCNC(=N)N)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](C(C)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H]([C@H](O)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H]([C@H](CC)C)N)CO)CC(C)C)CC(=O)O)CC(C)C)Cc1ccccc1)Cc1nc[nH]c1)CC(C)C)CC(C)C)CCCNC(=N)N)CCC(=O)O)CC(C)C)CCC(=O)O
• InChI: InChI=1S/C141H231N41O43S/c1-23-72(16)109(145)136(221)179-100(61-183)135(220)174-93(52-68(8)9)129(214)176-99(58-108(195)196)133(218)173-95(54-70(12)13)134(219)182-111(77(21)185)138(223)178-96(55-78-29-25-24-26-30-78)130(215)175-98(57-80-60-151-64-155-80)131(216)172-92(51-67(6)7)128(213)171-91(50-66(4)5)126(211)163-82(32-28-47-153-141(148)149)119(204)166-88(38-44-107(193)194)124(209)181-110(71(14)15)137(222)177-94(53-69(10)11)127(212)167-87(37-43-106(191)192)122(207)168-89(45-48-226-22)118(203)158-73(17)112(197)160-81(31-27-46-152-140(146)147)116(201)156-74(18)113(198)162-86(36-42-105(189)190)121(206)165-85(35-41-104(144)188)123(208)170-90(49-65(2)3)125(210)159-75(19)114(199)161-84(34-40-103(143)187)120(205)164-83(33-39-102(142)186)117(202)157-76(20)115(200)169-97(56-79-59-150-63-154-79)132(217)180-101(62-184)139(224)225/h24-26,29-30,59-60,63-77,81-101,109-111,183-185H,23,27-28,31-58,61-62,145H2,1-22H3,(H2,142,186)(H2,143,187)(H2,144,188)(H,150,154)(H,151,155)(H,156,201)(H,157,202)(H,158,203)(H,159,210)(H,160,197)(H,161,199)(H,162,198)(H,163,211)(H,164,205)(H,165,206)(H,166,204)(H,167,212)(H,168,207)(H,169,200)(H,170,208)(H,171,213)(H,172,216)(H,173,218)(H,174,220)(H,175,215)(H,176,214)(H,177,222)(H,178,223)(H,179,221)(H,180,217)(H,181,209)(H,182,219)(H,189,190)(H,191,192)(H,193,194)(H,195,196)(H,224,225)(H4,146,147,152)(H4,148,149,153)/t72-,73-,74-,75-,76-,77+,81-,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,109-,110-,111-/m0/s1
• InChIKey: XHHPINGDTRCKNN-QZXFXOMNSA-N

NAMES AND DATABASE IDS

Names

• Synonyms: Corticotropin Releasing Factor Fragment 6-33 human, rat

Database IDs

• CAS Number: 120066-38-8
• MDL Number: MFCD00671436
• PubChem SID: 162227815
• PubChem CID: 71308685

CALCULATED PROPERTIES

• Acid pKa: 2.8002658
• H Acceptors: 52
• H Donor: 47
• LogD (pH = 5.5): -21.937786
• LogD (pH = 7.4): -25.426807
• Log P: -19.638968
• Molar Refractivity: 820.0065 cm^3
• Polarizability: 313.36502 Å^3
• Polar Surface Area: 1369.34 Å^2
• Rotatable Bonds: 110
• Lipinski's Rule of Five: false

PROPERTIES

Safety Information

• German water hazard class: 3
• Personal Protective Equipment: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter
• Storage Temperature: -20°C

Pharmacology Properties

• Gene Information: human ... CRH(1392)

Product Information

• Purity: ≥97% (HPLC)

DETAILS

Sigma Aldrich - C0961

Amino Acid Sequence
Ile-Ser-Leu-Asp-Leu-Thr-Phe-His-Leu-Leu-Arg-Glu-Val-Leu-Glu-Met-Ala-Arg-Ala-Glu-Gln-Leu-Ala-Gln-Gln-Ala-His-Ser
Biochem/physiol Actions
CRF fragment that binds with high affinity to the CRF binding protein (CRF-BP) but has low affinity for the CRF receptor. Displaces CRF from CRF-BP.